Blog¤

September 30, 2024
in Python
77 min read

Best of Python

Best-of Python

🏆 A ranked list of awesome Python open-source libraries & tools. Updated weekly.

This curated list contains 390 awesome open-source projects with a total of 2M stars grouped into 28 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an issue, submit a pull request, or directly edit the projects.yaml. Contributions are very welcome!

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Data Serialization 16 projects
Data Containers & Dataframes 31 projects
Data Structures 15 projects
Data Validation 15 projects
Algorithms & Design Patterns 4 projects
Date & Time Utilities 9 projects
File & Path Utilities 10 projects
Compatiblity 7 projects
Cryptography 7 projects
Infrastructure & DevOps 20 projects
Process Utilities 4 projects
Asynchronous Programming 7 projects
Configuration 9 projects
CLI Development 20 projects
Development Tools 1 projects
Data Caching 6 projects
GUI Development 10 projects
Computer & Machine Vision 2 projects
Machine Learning & Data Engineering 1 projects
Text Data 12 projects
Web Development 1 projects
Database Clients 64 projects
Data Loading & Extraction 30 projects
Data Pipelines & Streaming 44 projects
File Formats 3 projects
Code Inspection 4 projects
General Utilities 15 projects
Python Implementations 6 projects
Others 21 projects

Explanation

🥇🥈🥉 Combined project-quality score
⭐️ Star count from GitHub
🐣 New project (less than 6 months old)
💤 Inactive project (6 months no activity)
💀 Dead project (12 months no activity)
📈📉 Project is trending up or down
➕ Project was recently added
❗️ Warning (e.g. missing/risky license)
👨‍💻 Contributors count from GitHub
🔀 Fork count from GitHub
📋 Issue count from GitHub
⏱️ Last update timestamp on package manager
📥 Download count from package manager
📦 Number of dependent projects
Pandas related project

Data Serialization

protobuf (🥇52 · ⭐ 71K · 📉) - Protocol Buffers - Googles data interchange format. BSD-3

- [GitHub](https://github.com/protocolbuffers/protobuf) (👨‍💻 1.4K · 🔀 16K · 📥 81M · 📦 970K · 📋 6.9K - 3% open · ⏱️ 26.02.2026):

git clone https://github.com/protocolbuffers/protobuf

- [PyPi](https://pypi.org/project/protobuf) (📥 520M / month · 📦 11K · ⏱️ 06.02.2026):

pip install protobuf

- [Conda](https://anaconda.org/conda-forge/protobuf) (📥 29M · ⏱️ 25.02.2026):

conda install -c conda-forge protobuf

- [npm](https://www.npmjs.com/package/google-protobuf) (📥 14M / month · 📦 3.7K · ⏱️ 24.02.2026):

npm install google-protobuf

flatbuffers (🥇45 · ⭐ 26K) - FlatBuffers: Memory Efficient Serialization Library. Apache-2

- [GitHub](https://github.com/google/flatbuffers) (👨‍💻 750 · 🔀 3.5K · 📥 1.6M · 📦 200K · 📋 2.6K - 5% open · ⏱️ 23.02.2026):

git clone https://github.com/google/flatbuffers

- [PyPi](https://pypi.org/project/flatbuffers) (📥 47M / month · 📦 700 · ⏱️ 19.12.2025):

pip install flatbuffers

- [Conda](https://anaconda.org/conda-forge/flatbuffers) (📥 1.9M · ⏱️ 22.12.2025):

conda install -c conda-forge flatbuffers

- [npm](https://www.npmjs.com/package/flatbuffers) (📥 11M / month · 📦 290 · ⏱️ 24.09.2025):

npm install flatbuffers

marshmallow (🥈42 · ⭐ 7.2K) - A lightweight library for converting complex objects to and from.. MIT

- [GitHub](https://github.com/marshmallow-code/marshmallow) (👨‍💻 220 · 🔀 650 · 📦 220K · 📋 1.3K - 11% open · ⏱️ 04.02.2026):

git clone https://github.com/marshmallow-code/marshmallow

- [PyPi](https://pypi.org/project/marshmallow) (📥 110M / month · 📦 2.8K · ⏱️ 04.02.2026):

pip install marshmallow

- [Conda](https://anaconda.org/conda-forge/marshmallow) (📥 3.7M · ⏱️ 04.02.2026):

conda install -c conda-forge marshmallow

dill (🥈37 · ⭐ 2.4K) - serialize all of Python. BSD-3

- [GitHub](https://github.com/uqfoundation/dill) (👨‍💻 47 · 🔀 190 · 📥 290K · 📦 240K · 📋 560 - 35% open · ⏱️ 24.01.2026):

git clone https://github.com/uqfoundation/dill

- [PyPi](https://pypi.org/project/dill) (📥 120M / month · 📦 4.2K · ⏱️ 19.01.2026):

pip install dill

- [Conda](https://anaconda.org/conda-forge/dill) (📥 17M · ⏱️ 19.01.2026):

conda install -c conda-forge dill

simplejson (🥈37 · ⭐ 1.7K) - simplejson is a simple, fast, extensible JSON encoder/decoder for.. MIT

- [GitHub](https://github.com/simplejson/simplejson) (👨‍💻 47 · 🔀 350 · 📥 8K · 📦 150K · 📋 220 - 11% open · ⏱️ 13.02.2026):

git clone https://github.com/simplejson/simplejson

- [PyPi](https://pypi.org/project/simplejson) (📥 59M / month · 📦 2.8K · ⏱️ 26.09.2025):

pip install simplejson

- [Conda](https://anaconda.org/conda-forge/simplejson) (📥 4.8M · ⏱️ 07.11.2025):

conda install -c conda-forge simplejson

jsonpickle (🥈37 · ⭐ 1.3K) - Python library for serializing any arbitrary object graph into.. BSD-3

- [GitHub](https://github.com/jsonpickle/jsonpickle) (👨‍💻 83 · 🔀 180 · 📦 49K · 📋 380 - 16% open · ⏱️ 01.02.2026):

git clone https://github.com/jsonpickle/jsonpickle

- [PyPi](https://pypi.org/project/jsonpickle) (📥 20M / month · 📦 1.5K · ⏱️ 02.06.2025):

pip install jsonpickle

- [Conda](https://anaconda.org/conda-forge/jsonpickle) (📥 2.3M · ⏱️ 03.06.2025):

conda install -c conda-forge jsonpickle

orjson (🥈36 · ⭐ 7.9K) - Fast, correct Python JSON library supporting dataclasses, datetimes,.. Apache-2

- [GitHub](https://github.com/ijl/orjson) (👨‍💻 24 · 🔀 290 · 📦 210K · ⏱️ 02.02.2026):

git clone https://github.com/ijl/orjson

- [PyPi](https://pypi.org/project/orjson) (📥 130M / month · 📦 5.3K · ⏱️ 02.02.2026):

pip install orjson

- [Conda](https://anaconda.org/conda-forge/orjson) (📥 4.8M · ⏱️ 22.02.2026):

conda install -c conda-forge orjson

cloudpickle (🥉34 · ⭐ 1.9K) - Extended pickling support for Python objects. BSD-3

- [GitHub](https://github.com/cloudpipe/cloudpickle) (👨‍💻 68 · 🔀 190 · 📥 100 · 📋 280 - 36% open · ⏱️ 05.11.2025):

git clone https://github.com/cloudpipe/cloudpickle

- [PyPi](https://pypi.org/project/cloudpickle) (📥 130M / month · 📦 2.3K · ⏱️ 03.11.2025):

pip install cloudpickle

- [Conda](https://anaconda.org/conda-forge/cloudpickle) (📥 31M · ⏱️ 09.12.2025):

conda install -c conda-forge cloudpickle

python-rapidjson (🥉29 · ⭐ 530) - Python wrapper around rapidjson. MIT

- [GitHub](https://github.com/python-rapidjson/python-rapidjson) (👨‍💻 25 · 🔀 53 · 📦 7.5K · 📋 120 - 13% open · ⏱️ 07.12.2025):

git clone https://github.com/python-rapidjson/python-rapidjson

- [PyPi](https://pypi.org/project/python-rapidjson) (📥 4.8M / month · 📦 270 · ⏱️ 07.12.2025):

pip install python-rapidjson

- [Conda](https://anaconda.org/conda-forge/python-rapidjson) (📥 4.5M · ⏱️ 03.02.2026):

conda install -c conda-forge python-rapidjson

srsly (🥉29 · ⭐ 480) - Modern high-performance serialization utilities for Python (JSON,.. MIT

- [GitHub](https://github.com/explosion/srsly) (👨‍💻 16 · 🔀 37 · 📥 990 · 📦 68K · 📋 38 - 26% open · ⏱️ 19.11.2025):

git clone https://github.com/explosion/srsly

- [PyPi](https://pypi.org/project/srsly) (📥 17M / month · 📦 250 · ⏱️ 17.11.2025):

pip install srsly

- [Conda](https://anaconda.org/conda-forge/srsly) (📥 2.4M · ⏱️ 17.11.2025):

conda install -c conda-forge srsly

rtoml (🥉24 · ⭐ 400) - A fast TOML library for python implemented in rust. MIT

- [GitHub](https://github.com/samuelcolvin/rtoml) (👨‍💻 16 · 🔀 30 · 📦 860 · 📋 27 - 37% open · ⏱️ 19.10.2025):

git clone https://github.com/samuelcolvin/rtoml

- [PyPi](https://pypi.org/project/rtoml) (📥 740K / month · 📦 160 · ⏱️ 19.10.2025):

pip install rtoml

Show 5 hidden projects...

- msgpack (🥉32 · ⭐ 2.1K) - MessagePack serializer implementation for Python.. ❗Unlicensed - ultrajson (🥉31 · ⭐ 4.5K) - Ultra fast JSON decoder and encoder written in C with Python.. ❗Unlicensed - pyasn1 (🥉31 · ⭐ 250 · 💀) - Generic ASN.1 library for Python. BSD-2 - hickle (🥉25 · ⭐ 500 · 💀) - a HDF5-based python pickle replacement. MIT - pysimdjson (🥉24 · ⭐ 760 · 💤) - Python bindings for the simdjson project. ❗Unlicensed

Data Containers & Dataframes

General-purpose data containers as well as utilities & extensions for pandas.

pandas (🥇54 · ⭐ 48K) - Flexible and powerful data analysis / manipulation library for.. BSD-3

- [GitHub](https://github.com/pandas-dev/pandas) (👨‍💻 4.1K · 🔀 20K · 📥 3.6M · 📦 2.8M · 📋 28K - 12% open · ⏱️ 26.02.2026):

git clone https://github.com/pandas-dev/pandas

- [PyPi](https://pypi.org/project/pandas) (📥 530M / month · 📦 110K · ⏱️ 17.02.2026):

pip install pandas

- [Conda](https://anaconda.org/conda-forge/pandas) (📥 77M · ⏱️ 18.02.2026):

conda install -c conda-forge pandas

polars (🥇46 · ⭐ 38K) - Extremely fast Query Engine for DataFrames, written in Rust. MIT

- [GitHub](https://github.com/pola-rs/polars) (👨‍💻 670 · 🔀 2.6K · 📥 17K · 📦 31K · 📋 13K - 21% open · ⏱️ 26.02.2026):

git clone https://github.com/pola-rs/polars

- [PyPi](https://pypi.org/project/polars) (📥 40M / month · 📦 4.5K · ⏱️ 06.02.2026):

pip install polars

h5py (🥇43 · ⭐ 2.2K) - HDF5 for Python -- The h5py package is a Pythonic interface to the HDF5.. BSD-3

- [GitHub](https://github.com/h5py/h5py) (👨‍💻 220 · 🔀 560 · 📥 5.8K · 📦 360K · 📋 1.7K - 18% open · ⏱️ 18.02.2026):

git clone https://github.com/h5py/h5py

- [PyPi](https://pypi.org/project/h5py) (📥 31M / month · 📦 10K · ⏱️ 16.10.2025):

pip install h5py

- [Conda](https://anaconda.org/conda-forge/h5py) (📥 24M · ⏱️ 24.11.2025):

conda install -c conda-forge h5py

xarray (🥈40 · ⭐ 4.1K) - N-D labeled arrays and datasets in Python. Apache-2

- [GitHub](https://github.com/pydata/xarray) (👨‍💻 600 · 🔀 1.2K · 📦 43K · 📋 5.2K - 25% open · ⏱️ 25.02.2026):

git clone https://github.com/pydata/xarray

- [PyPi](https://pypi.org/project/xarray) (📥 16M / month · 📦 5.3K · ⏱️ 13.02.2026):

pip install xarray

- [Conda](https://anaconda.org/conda-forge/xarray) (📥 14M · ⏱️ 14.02.2026):

conda install -c conda-forge xarray

zarr (🥈38 · ⭐ 1.9K) - An implementation of chunked, compressed, N-dimensional arrays for Python. MIT

- [GitHub](https://github.com/zarr-developers/zarr-python) (👨‍💻 160 · 🔀 380 · 📦 7.7K · 📋 1.4K - 35% open · ⏱️ 25.02.2026):

git clone https://github.com/zarr-developers/zarr-python

- [PyPi](https://pypi.org/project/zarr) (📥 4.7M / month · 📦 1.7K · ⏱️ 21.11.2025):

pip install zarr

- [Conda](https://anaconda.org/conda-forge/zarr) (📥 5.1M · ⏱️ 21.11.2025):

conda install -c conda-forge zarr

Bottleneck (🥈36 · ⭐ 1.2K) - Fast NumPy array functions written in C. BSD-2

- [GitHub](https://github.com/pydata/bottleneck) (👨‍💻 40 · 🔀 110 · 📦 59K · 📋 260 - 17% open · ⏱️ 06.02.2026):

git clone https://github.com/pydata/bottleneck

- [PyPi](https://pypi.org/project/Bottleneck) (📥 8.5M / month · 📦 620 · ⏱️ 08.09.2025):

pip install Bottleneck

- [Conda](https://anaconda.org/conda-forge/bottleneck) (📥 6.4M · ⏱️ 10.11.2025):

conda install -c conda-forge bottleneck

pandera (🥈35 · ⭐ 4.2K) - A light-weight, flexible, and expressive statistical data testing.. MIT

- [GitHub](https://github.com/unionai-oss/pandera) (👨‍💻 180 · 🔀 370 · 📦 3.4K · 📋 1K - 41% open · ⏱️ 24.01.2026):

git clone https://github.com/pandera-dev/pandera

- [PyPi](https://pypi.org/project/pandera) (📥 9.6M / month · 📦 420 · ⏱️ 29.01.2026):

pip install pandera

- [Conda](https://anaconda.org/conda-forge/pandera-core) (📥 100K · ⏱️ 07.01.2026):

conda install -c conda-forge pandera-core

numexpr (🥈35 · ⭐ 2.4K) - Fast numerical array expression evaluator for Python, NumPy, Pandas,.. MIT

- [GitHub](https://github.com/pydata/numexpr) (👨‍💻 85 · 🔀 220 · 📥 3.6K · 📦 99K · 📋 400 - 0% open · ⏱️ 02.12.2025):

git clone https://github.com/pydata/numexpr

- [PyPi](https://pypi.org/project/numexpr) (📥 13M / month · 📦 1.2K · ⏱️ 13.10.2025):

pip install numexpr

- [Conda](https://anaconda.org/conda-forge/numexpr) (📥 12M · ⏱️ 03.12.2025):

conda install -c conda-forge numexpr

PyTables (🥈35 · ⭐ 1.4K) - A Python package to manage extremely large amounts of data. BSD-3

- [GitHub](https://github.com/PyTables/PyTables) (👨‍💻 140 · 🔀 280 · 📥 210 · 📋 750 - 20% open · ⏱️ 21.02.2026):

git clone https://github.com/PyTables/PyTables

- [PyPi](https://pypi.org/project/tables) (📥 2M / month · 📦 1.8K · ⏱️ 21.02.2026):

pip install tables

- [Conda](https://anaconda.org/conda-forge/pytables) (📥 11M · ⏱️ 21.02.2026):

conda install -c conda-forge pytables

Modin (🥈34 · ⭐ 10K) - Modin: Scale your Pandas workflows by changing a single line of.. Apache-2

- [GitHub](https://github.com/modin-project/modin) (👨‍💻 140 · 🔀 670 · 📥 200K · 📦 2.3K · 📋 4.4K - 16% open · ⏱️ 10.02.2026):

git clone https://github.com/modin-project/modin

- [PyPi](https://pypi.org/project/modin) (📥 1.8M / month · 📦 66 · ⏱️ 02.10.2025):

pip install modin

- [Conda](https://anaconda.org/conda-forge/modin-core) (📥 890K · ⏱️ 22.04.2025):

conda install -c conda-forge modin-core

Vaex (🥈33 · ⭐ 8.5K) - Out-of-Core hybrid Apache Arrow/NumPy DataFrame for Python, ML, visualization.. MIT

- [GitHub](https://github.com/vaexio/vaex) (👨‍💻 76 · 🔀 600 · 📥 330 · 📦 1K · 📋 1.3K - 41% open · ⏱️ 05.02.2026):

git clone https://github.com/vaexio/vaex

- [PyPi](https://pypi.org/project/vaex) (📥 25K / month · 📦 68 · ⏱️ 03.02.2026):

pip install vaex

- [Conda](https://anaconda.org/conda-forge/vaex) (📥 420K · ⏱️ 22.04.2025):

conda install -c conda-forge vaex

TinyDB (🥈33 · ⭐ 7.5K) - TinyDB is a lightweight document oriented database optimized for your.. MIT

- [GitHub](https://github.com/msiemens/tinydb) (👨‍💻 95 · 🔀 590 · 📦 16K · 📋 330 - 3% open · ⏱️ 17.01.2026):

git clone https://github.com/msiemens/tinydb

- [PyPi](https://pypi.org/project/tinydb) (📥 2.1M / month · 📦 690 · ⏱️ 12.10.2024):

pip install tinydb

- [Conda](https://anaconda.org/conda-forge/tinydb) (📥 810K · ⏱️ 22.04.2025):

conda install -c conda-forge tinydb

docarray (🥉32 · ⭐ 3.1K · 💤) - Represent, send, store and search multimodal data. Apache-2

- [GitHub](https://github.com/docarray/docarray) (👨‍💻 81 · 🔀 230 · 📦 5.7K · 📋 640 - 10% open · ⏱️ 21.03.2025):

git clone https://github.com/jina-ai/docarray

- [PyPi](https://pypi.org/project/docarray) (📥 130K / month · 📦 82 · ⏱️ 21.03.2025):

pip install docarray

- [Conda](https://anaconda.org/conda-forge/docarray) (📥 250K · ⏱️ 22.04.2025):

conda install -c conda-forge docarray

datasketch (🥉32 · ⭐ 2.9K) - MinHash, LSH, LSH Forest, Weighted MinHash, HyperLogLog,.. MIT

- [GitHub](https://github.com/ekzhu/datasketch) (👨‍💻 36 · 🔀 310 · 📥 40 · 📦 2.4K · 📋 180 - 31% open · ⏱️ 18.01.2026):

git clone https://github.com/ekzhu/datasketch

- [PyPi](https://pypi.org/project/datasketch) (📥 5.5M / month · 📦 130 · ⏱️ 18.01.2026):

pip install datasketch

datatable (🥉28 · ⭐ 1.9K · 💤) - A Python package for manipulating 2-dimensional tabular data.. MPL-2.0

- [GitHub](https://github.com/h2oai/datatable) (👨‍💻 41 · 🔀 160 · 📥 3.4K · 📋 1.5K - 11% open · ⏱️ 17.03.2025):

git clone https://github.com/h2oai/datatable

- [PyPi](https://pypi.org/project/datatable) (📥 49K / month · 📦 54 · ⏱️ 01.12.2023):

pip install datatable

- [Conda](https://anaconda.org/conda-forge/datatable) (📥 50K · ⏱️ 22.04.2025):

conda install -c conda-forge datatable

StaticFrame (🥉28 · ⭐ 480) - Immutable and statically-typeable DataFrames with runtime type and.. MIT

- [GitHub](https://github.com/static-frame/static-frame) (👨‍💻 27 · 🔀 35 · 📦 31 · 📋 730 - 6% open · ⏱️ 25.02.2026):

git clone https://github.com/InvestmentSystems/static-frame

- [PyPi](https://pypi.org/project/static-frame) (📥 23K / month · 📦 6 · ⏱️ 04.02.2026):

pip install static-frame

- [Conda](https://anaconda.org/conda-forge/static-frame) (📥 570K · ⏱️ 05.02.2026):

conda install -c conda-forge static-frame

pickleDB (🥉26 · ⭐ 1.1K) - pickleDB is an in memory key-value store using Pythons orjson module.. BSD-3

- [GitHub](https://github.com/patx/pickledb) (👨‍💻 17 · 🔀 130 · 📦 3.4K · 📋 89 - 20% open · ⏱️ 06.01.2026):

git clone https://github.com/patx/pickledb

- [PyPi](https://pypi.org/project/pickledb) (📥 26K / month · 📦 2 · ⏱️ 05.01.2026):

pip install pickledb

Pandas Summary (🥉25 · ⭐ 530) - Engine for ML/Data tracking, visualization,.. Apache-2

- [GitHub](https://github.com/polyaxon/traceml) (👨‍💻 99 · 🔀 45 · 📋 14 - 42% open · ⏱️ 11.02.2026):

git clone https://github.com/polyaxon/datatile

- [PyPi](https://pypi.org/project/pandas-summary) (📥 110K / month · 📦 21 · ⏱️ 25.11.2021):

pip install pandas-summary

Show 13 hidden projects...

- numpy (🥇51 · ⭐ 32K) - The fundamental package for scientific computing with Python. ❗Unlicensed - Blaze (🥉32 · ⭐ 3.2K · 💀) - NumPy and Pandas interface to Big Data. BSD-3 - Koalas (🥉31 · ⭐ 3.4K · 💀) - Koalas: pandas API on Apache Spark. Apache-2 spark - Arctic (🥉28 · ⭐ 3.1K · 💀) - Arctic is a high performance datastore for numeric data. ❗️LGPL-2.1 - sklearn-pandas (🥉28 · ⭐ 2.8K · 💀) - Pandas integration with sklearn. ❗️Zlib sklearn - swifter (🥉28 · ⭐ 2.6K · 💀) - A package which efficiently applies any function to a pandas.. MIT - pandasql (🥉28 · ⭐ 1.3K · 💀) - sqldf for pandas. MIT - Pandaral·lel (🥉27 · ⭐ 3.8K · 💀) - A simple and efficient tool to parallelize Pandas.. BSD-3 jupyter - bcolz (🥉27 · ⭐ 960 · 💀) - A columnar data container that can be compressed. BSD-3 - fletcher (🥉20 · ⭐ 230 · 💀) - Pandas ExtensionDType/Array backed by Apache Arrow. MIT - daffy (🥉19 · ⭐ 54) - Lightweight DataFrame validation decorators for Pandas, Polars, Modin,.. MIT - Bounter (🥉17 · ⭐ 930 · 💀) - Efficient Counter that uses a limited (bounded) amount of memory.. MIT - PandaPy (🥉12 · ⭐ 550 · 💀) - PandaPy has the speed of NumPy and the usability of Pandas 10x to.. MIT

Data Structures

pyrsistent (🥇38 · ⭐ 2.2K) - Persistent/Immutable/Functional data structures for Python. MIT

- [GitHub](https://github.com/tobgu/pyrsistent) (👨‍💻 77 · 🔀 160 · 📦 370K · 📋 180 - 15% open · ⏱️ 31.01.2026):

git clone https://github.com/tobgu/pyrsistent

- [PyPi](https://pypi.org/project/pyrsistent) (📥 40M / month · 📦 1K · ⏱️ 25.10.2023):

pip install pyrsistent

- [Conda](https://anaconda.org/conda-forge/pyrsistent) (📥 22M · ⏱️ 04.10.2025):

conda install -c conda-forge pyrsistent

multidict (🥇34 · ⭐ 480) - The multidict implementation. Apache-2

- [GitHub](https://github.com/aio-libs/multidict) (👨‍💻 63 · 🔀 120 · 📥 2K · 📋 190 - 12% open · ⏱️ 25.02.2026):

git clone https://github.com/aio-libs/multidict

- [PyPi](https://pypi.org/project/multidict) (📥 340M / month · 📦 2.1K · ⏱️ 26.01.2026):

pip install multidict

- [Conda](https://anaconda.org/conda-forge/multidict) (📥 23M · ⏱️ 20.02.2026):

conda install -c conda-forge multidict

bidict (🥈32 · ⭐ 1.6K) - The bidirectional mapping library for Python. MPL-2.0

- [GitHub](https://github.com/jab/bidict) (👨‍💻 24 · 🔀 64 · 📥 140 · 📦 43K · 📋 66 - 6% open · ⏱️ 01.02.2026):

git clone https://github.com/jab/bidict

- [PyPi](https://pypi.org/project/bidict) (📥 18M / month · 📦 480 · ⏱️ 18.02.2024):

pip install bidict

- [Conda](https://anaconda.org/conda-forge/bidict) (📥 710K · ⏱️ 22.04.2025):

conda install -c conda-forge bidict

anytree (🥈31 · ⭐ 1.1K · 💤) - Python tree data library. Apache-2

- [GitHub](https://github.com/c0fec0de/anytree) (👨‍💻 30 · 🔀 140 · 📦 24K · 📋 200 - 17% open · ⏱️ 08.04.2025):

git clone https://github.com/c0fec0de/anytree

- [PyPi](https://pypi.org/project/anytree) (📥 5M / month · 📦 580 · ⏱️ 08.04.2025):

pip install anytree

- [Conda](https://anaconda.org/conda-forge/anytree) (📥 74K · ⏱️ 22.04.2025):

conda install -c conda-forge anytree

glom (🥉30 · ⭐ 2.1K) - Pythons nested data operator (and CLI), for all your declarative.. BSD-3

- [GitHub](https://github.com/mahmoud/glom) (👨‍💻 23 · 🔀 71 · 📦 3.1K · 📋 200 - 59% open · ⏱️ 29.12.2025):

git clone https://github.com/mahmoud/glom

- [PyPi](https://pypi.org/project/glom) (📥 14M / month · 📦 250 · ⏱️ 29.12.2025):

pip install glom

- [Conda](https://anaconda.org/conda-forge/glom) (📥 61K · ⏱️ 29.12.2025):

conda install -c conda-forge glom

python-benedict (🥉29 · ⭐ 1.6K) - dict subclass with keylist/keypath support, built-in I/O.. MIT

- [GitHub](https://github.com/fabiocaccamo/python-benedict) (👨‍💻 11 · 🔀 43 · 📦 2K · 📋 120 - 10% open · ⏱️ 09.01.2026):

git clone https://github.com/fabiocaccamo/python-benedict

- [PyPi](https://pypi.org/project/python-benedict) (📥 980K / month · 📦 110 · ⏱️ 30.09.2025):

pip install python-benedict

- [Conda](https://anaconda.org/conda-forge/python-benedict) (📥 250K · ⏱️ 22.04.2025):

conda install -c conda-forge python-benedict

python-box (🥉27 · ⭐ 2.8K · 📈) - Python dictionaries with advanced dot notation access. MIT

- [GitHub](https://github.com/cdgriffith/Box) (👨‍💻 1 · 🔀 120 · 📥 54 · 📋 180 - 17% open · ⏱️ 21.02.2026):

git clone https://github.com/cdgriffith/Box

- [PyPi](https://pypi.org/project/python-box) (📥 7M / month · 📦 590 · ⏱️ 21.02.2026):

pip install python-box

- [Conda](https://anaconda.org/conda-forge/python-box) (📥 1.1M · ⏱️ 21.02.2026):

conda install -c conda-forge python-box

janus (🥉25 · ⭐ 960) - Thread-safe asyncio-aware queue for Python. Apache-2

- [GitHub](https://github.com/aio-libs/janus) (👨‍💻 30 · 🔀 53 · 📥 35 · 📋 52 - 21% open · ⏱️ 10.02.2026):

git clone https://github.com/aio-libs/janus

- [PyPi](https://pypi.org/project/janus) (📥 2M / month · 📦 130 · ⏱️ 13.12.2024):

pip install janus

- [Conda](https://anaconda.org/conda-forge/janus) (📥 35K · ⏱️ 22.04.2025):

conda install -c conda-forge janus

Show 7 hidden projects...

- python-sortedcontainers (🥈33 · ⭐ 3.9K · 💀) - Python Sorted Container Types: Sorted List, Sorted.. Apache-2 - addict (🥈32 · ⭐ 2.5K · 💀) - The Python Dict thats better than heroin. MIT - ordered-set (🥈31 · ⭐ 230 · 💀) - A mutable set that remembers the order of its entries. One of.. MIT - sqlitedict (🥉29 · ⭐ 1.2K · 💀) - Persistent dict, backed by sqlite3 and pickle, multithread-.. Apache-2 - munch (🥉27 · ⭐ 780 · 💀) - A Munch is a Python dictionary that provides attribute-style access (a.. MIT - immutables (🥉25 · ⭐ 1.2K · 💀) - A high-performance immutable mapping type for Python. Apache-2 - cleverdict (🥉15 · ⭐ 100 · 💀) - A JSON-friendly data structure which allows both object attributes.. MIT

Data Validation

pydantic (🥇46 · ⭐ 27K) - Data validation using Python type hints. MIT

- [GitHub](https://github.com/pydantic/pydantic) (👨‍💻 740 · 🔀 2.5K · 📦 960K · 📋 5.5K - 9% open · ⏱️ 26.02.2026):

git clone https://github.com/samuelcolvin/pydantic

- [PyPi](https://pypi.org/project/pydantic) (📥 620M / month · 📦 64K · ⏱️ 24.02.2026):

pip install pydantic

- [Conda](https://anaconda.org/conda-forge/pydantic) (📥 20M · ⏱️ 29.11.2025):

conda install -c conda-forge pydantic

jsonschema (🥇42 · ⭐ 4.9K) - An implementation of the JSON Schema specification for Python. MIT

- [GitHub](https://github.com/python-jsonschema/jsonschema) (👨‍💻 120 · 🔀 610 · 📥 980 · 📦 820K · 📋 880 - 4% open · ⏱️ 24.02.2026):

git clone https://github.com/Julian/jsonschema

- [PyPi](https://pypi.org/project/jsonschema) (📥 340M / month · 📦 9.6K · ⏱️ 07.01.2026):

pip install jsonschema

- [Conda](https://anaconda.org/conda-forge/jsonschema) (📥 44M · ⏱️ 08.01.2026):

conda install -c conda-forge jsonschema

cerberus (🥈35 · ⭐ 3.3K) - Lightweight, extensible data validation library for Python. ISC

- [GitHub](https://github.com/pyeve/cerberus) (👨‍💻 67 · 🔀 240 · 📦 18K · 📋 360 - 3% open · ⏱️ 01.01.2026):

git clone https://github.com/pyeve/cerberus

- [PyPi](https://pypi.org/project/cerberus) (📥 5.8M / month · 📦 770 · ⏱️ 06.11.2025):

pip install cerberus

- [Conda](https://anaconda.org/conda-forge/cerberus) (📥 730K · ⏱️ 22.04.2025):

conda install -c conda-forge cerberus

validators (🥈35 · ⭐ 1.1K) - Python Data Validation for Humans. MIT

- [GitHub](https://github.com/python-validators/validators) (👨‍💻 64 · 🔀 170 · 📥 200 · 📦 150K · 📋 190 - 2% open · ⏱️ 03.10.2025):

git clone https://github.com/kvesteri/validators

- [PyPi](https://pypi.org/project/validators) (📥 25M / month · 📦 7.6K · ⏱️ 01.05.2025):

pip install validators

- [Conda](https://anaconda.org/conda-forge/validators) (📥 1.3M · ⏱️ 03.05.2025):

conda install -c conda-forge validators

voluptuous (🥈34 · ⭐ 1.8K) - CONTRIBUTIONS ONLY: Voluptuous, despite the name, is a Python data.. BSD-3

- [GitHub](https://github.com/alecthomas/voluptuous) (👨‍💻 100 · 🔀 220 · 📦 21K · 📋 260 - 16% open · ⏱️ 18.12.2025):

git clone https://github.com/alecthomas/voluptuous

- [PyPi](https://pypi.org/project/voluptuous) (📥 5.5M / month · 📦 620 · ⏱️ 18.12.2025):

pip install voluptuous

- [Conda](https://anaconda.org/conda-forge/voluptuous) (📥 710K · ⏱️ 19.12.2025):

conda install -c conda-forge voluptuous

schema (🥈33 · ⭐ 2.9K) - Schema validation just got Pythonic. MIT

- [GitHub](https://github.com/keleshev/schema) (👨‍💻 72 · 🔀 210 · 📦 16K · 📋 190 - 52% open · ⏱️ 13.01.2026):

git clone https://github.com/keleshev/schema

- [PyPi](https://pypi.org/project/schema) (📥 25M / month · 📦 890 · ⏱️ 11.10.2025):

pip install schema

- [Conda](https://anaconda.org/conda-forge/schema) (📥 590K · ⏱️ 22.04.2025):

conda install -c conda-forge schema

param (🥉31 · ⭐ 510) - Declarative parameters for robust Python classes and a rich API for.. BSD-3

- [GitHub](https://github.com/holoviz/param) (👨‍💻 42 · 🔀 81 · 📦 18K · 📋 520 - 33% open · ⏱️ 09.02.2026):

git clone https://github.com/holoviz/param

- [PyPi](https://pypi.org/project/param) (📥 1.6M / month · 📦 220 · ⏱️ 06.02.2026):

pip install param

- [Conda](https://anaconda.org/conda-forge/param) (📥 2.5M · ⏱️ 07.02.2026):

conda install -c conda-forge param

python-email-validator (🥉30 · ⭐ 1.4K) - A robust email syntax and deliverability validation.. Unlicense

- [GitHub](https://github.com/JoshData/python-email-validator) (👨‍💻 26 · 🔀 130 · 📋 110 - 12% open · ⏱️ 14.01.2026):

git clone https://github.com/JoshData/python-email-validator

- [PyPi](https://pypi.org/project/email-validator) (📥 110M / month · 📦 1.2K · ⏱️ 26.08.2025):

pip install email-validator

- [Conda](https://anaconda.org/conda-forge/email-validator) (📥 2.1M · ⏱️ 26.08.2025):

conda install -c conda-forge email-validator

dirty-equals (🥉25 · ⭐ 970) - Doing dirty (but extremely useful) things with equals. MIT

- [GitHub](https://github.com/samuelcolvin/dirty-equals) (👨‍💻 20 · 🔀 44 · 📦 770 · 📋 45 - 35% open · ⏱️ 17.11.2025):

git clone https://github.com/samuelcolvin/dirty-equals

- [PyPi](https://pypi.org/project/dirty-equals) (📥 2.4M / month · 📦 100 · ⏱️ 17.11.2025):

pip install dirty-equals

- [Conda](https://anaconda.org/conda-forge/dirty-equals) (📥 120K · ⏱️ 18.11.2025):

conda install -c conda-forge dirty-equals

Show 6 hidden projects...

- schematics (🥉31 · ⭐ 2.6K · 💀) - Python Data Structures for Humans. BSD-3 - strictyaml (🥉29 · ⭐ 1.6K · 💀) - Type-safe YAML parser and validator. MIT - valideer (🥉20 · ⭐ 260 · 💀) - Lightweight data validation and adaptation Python library. MIT - validr (🥉17 · ⭐ 220 · 💀) - A simple, fast, extensible python library for data validation. MIT - typical (🥉17 · ⭐ 180 · 💀) - Typical: Fast, simple, & correct data-validation using Python 3 typing. MIT - dataklasses (🥉7 · ⭐ 810 · 💀) - A different spin on dataclasses. ❗Unlicensed

Algorithms & Design Patterns

🔗 python-patterns ( ⭐ 43K) - Collection of design patterns/idioms in Python.

algorithms (🥇33 · ⭐ 25K) - Minimal examples of data structures and algorithms in Python. MIT

- [GitHub](https://github.com/keon/algorithms) (👨‍💻 220 · 🔀 4.7K · 📦 140 · ⏱️ 23.02.2026):

git clone https://github.com/keon/algorithms

- [PyPi](https://pypi.org/project/algorithms) (📥 3.5K / month · 📦 5 · ⏱️ 18.02.2026):

pip install algorithms

- [Conda](https://anaconda.org/conda-forge/algorithms) (📥 4.3K · ⏱️ 22.04.2025):

conda install -c conda-forge algorithms

transitions (🥉32 · ⭐ 6.4K) - A lightweight, object-oriented finite state machine implementation.. MIT

- [GitHub](https://github.com/pytransitions/transitions) (👨‍💻 81 · 🔀 550 · 📦 4.3K · 📋 480 - 3% open · ⏱️ 09.09.2025):

git clone https://github.com/pytransitions/transitions

- [PyPi](https://pypi.org/project/transitions) (📥 2.4M / month · 📦 220 · ⏱️ 02.07.2025):

pip install transitions

- [Conda](https://anaconda.org/conda-forge/transitions) (📥 860K · ⏱️ 02.07.2025):

conda install -c conda-forge transitions

Show 1 hidden projects...

- PyPattyrn (🥉20 · ⭐ 2.3K · 💀) - A simple library for implementing common design patterns. MIT

Date & Time Utilities

arrow (🥇40 · ⭐ 9K) - Better dates & times for Python. Apache-2

- [GitHub](https://github.com/arrow-py/arrow) (👨‍💻 290 · 🔀 710 · 📦 180K · 📋 520 - 21% open · ⏱️ 19.02.2026):

git clone https://github.com/arrow-py/arrow

- [PyPi](https://pypi.org/project/arrow) (📥 65M / month · 📦 2.3K · ⏱️ 18.10.2025):

pip install arrow

- [Conda](https://anaconda.org/conda-forge/arrow) (📥 11M · ⏱️ 18.10.2025):

conda install -c conda-forge arrow

dateparser (🥈39 · ⭐ 2.8K) - python parser for human readable dates. BSD-3

- [GitHub](https://github.com/scrapinghub/dateparser) (👨‍💻 150 · 🔀 490 · 📦 38K · 📋 760 - 46% open · ⏱️ 10.02.2026):

git clone https://github.com/scrapinghub/dateparser

- [PyPi](https://pypi.org/project/dateparser) (📥 33M / month · 📦 1.5K · ⏱️ 04.02.2026):

pip install dateparser

- [Conda](https://anaconda.org/conda-forge/dateparser) (📥 910K · ⏱️ 04.02.2026):

conda install -c conda-forge dateparser

holidays (🥈39 · ⭐ 1.8K) - Open World Holidays Framework. MIT

- [GitHub](https://github.com/vacanza/holidays) (👨‍💻 300 · 🔀 600 · 📥 300 · 📦 27K · 📋 770 - 9% open · ⏱️ 26.02.2026):

git clone https://github.com/vacanza/holidays

- [PyPi](https://pypi.org/project/holidays) (📥 24M / month · 📦 510 · ⏱️ 16.02.2026):

pip install holidays

- [Conda](https://anaconda.org/conda-forge/holidays) (📥 4.5M · ⏱️ 17.02.2026):

conda install -c conda-forge holidays

pendulum (🥈36 · ⭐ 6.6K) - Python datetimes made easy. MIT

- [GitHub](https://github.com/python-pendulum/pendulum) (👨‍💻 120 · 🔀 420 · 📥 4.3K · 📦 39K · 📋 570 - 35% open · ⏱️ 17.02.2026):

git clone https://github.com/sdispater/pendulum

- [PyPi](https://pypi.org/project/pendulum) (📥 65M / month · 📦 1.6K · ⏱️ 30.01.2026):

pip install pendulum

- [Conda](https://anaconda.org/conda-forge/pendulum) (📥 1.9M · ⏱️ 31.01.2026):

conda install -c conda-forge pendulum

python-dateutil (🥉34 · ⭐ 2.6K) - Useful extensions to the standard Python datetime features. Apache-2

- [GitHub](https://github.com/dateutil/dateutil) (👨‍💻 130 · 🔀 530 · 📥 36K · 📋 820 - 47% open · ⏱️ 16.09.2025):

git clone https://github.com/dateutil/dateutil

- [PyPi](https://pypi.org/project/python-dateutil) (📥 860M / month · 📦 12K · ⏱️ 01.03.2024):

pip install python-dateutil

- [Conda](https://anaconda.org/conda-forge/python-dateutil) (📥 90M · ⏱️ 28.06.2025):

conda install -c conda-forge python-dateutil

pytz (🥉33 · ⭐ 380 · 💤) - pytz Python historical timezone library and database. MIT

- [GitHub](https://github.com/stub42/pytz) (👨‍💻 21 · 🔀 98 · 📥 740 · 📦 2.5M · 📋 100 - 40% open · ⏱️ 25.03.2025):

git clone https://github.com/stub42/pytz

- [PyPi](https://pypi.org/project/pytz) (📥 400M / month · 📦 13K · ⏱️ 25.03.2025):

pip install pytz

- [Conda](https://anaconda.org/conda-forge/pytz) (📥 84M · ⏱️ 22.04.2025):

conda install -c conda-forge pytz

tzlocal (🥉31 · ⭐ 220 · 💤) - A Python module that tries to figure out what your local timezone is. MIT

- [GitHub](https://github.com/regebro/tzlocal) (👨‍💻 31 · 🔀 64 · 📦 220K · 📋 90 - 1% open · ⏱️ 08.07.2025):

git clone https://github.com/regebro/tzlocal

- [PyPi](https://pypi.org/project/tzlocal) (📥 130M / month · 📦 1.9K · ⏱️ 05.03.2025):

pip install tzlocal

- [Conda](https://anaconda.org/conda-forge/tzlocal) (📥 4.8M · ⏱️ 26.08.2025):

conda install -c conda-forge tzlocal

Show 2 hidden projects...

- isodate (🥉32 · ⭐ 170 · 💀) - ISO 8601 date/time parser. BSD-3 - parsedatetime (🥉29 · ⭐ 710 · 💀) - Parse human-readable date/time strings. Apache-2

File & Path Utilities

filesystem_spec (🥇40 · ⭐ 1.3K) - A specification that python filesystems should adhere to. BSD-3

- [GitHub](https://github.com/fsspec/filesystem_spec) (👨‍💻 310 · 🔀 430 · 📦 290K · 📋 840 - 40% open · ⏱️ 17.02.2026):

git clone https://github.com/fsspec/filesystem_spec

- [PyPi](https://pypi.org/project/fsspec) (📥 600M / month · 📦 3.3K · ⏱️ 05.02.2026):

pip install fsspec

- [Conda](https://anaconda.org/conda-forge/fsspec) (📥 30M · ⏱️ 06.02.2026):

conda install -c conda-forge fsspec

watchdog (🥈39 · ⭐ 7.3K) - Python library and shell utilities to monitor filesystem events. Apache-2

- [GitHub](https://github.com/gorakhargosh/watchdog) (👨‍💻 170 · 🔀 730 · 📦 260K · 📋 700 - 30% open · ⏱️ 20.02.2026):

git clone https://github.com/gorakhargosh/watchdog

- [PyPi](https://pypi.org/project/watchdog) (📥 79M / month · 📦 2.7K · ⏱️ 01.11.2024):

pip install watchdog

- [Conda](https://anaconda.org/conda-forge/watchdog) (📥 5.2M · ⏱️ 25.02.2026):

conda install -c conda-forge watchdog

filelock (🥈37 · ⭐ 940) - A platform-independent file lock for Python. MIT

- [GitHub](https://github.com/tox-dev/filelock) (👨‍💻 59 · 🔀 130 · 📦 700K · ⏱️ 26.02.2026):

git clone https://github.com/tox-dev/py-filelock

- [PyPi](https://pypi.org/project/filelock) (📥 440M / month · 📦 4.3K · ⏱️ 19.02.2026):

pip install filelock

- [Conda](https://anaconda.org/conda-forge/filelock) (📥 38M · ⏱️ 19.02.2026):

conda install -c conda-forge filelock

aiofiles (🥈36 · ⭐ 3.2K) - File support for asyncio. Apache-2

- [GitHub](https://github.com/Tinche/aiofiles) (👨‍💻 42 · 🔀 160 · 📦 240K · 📋 140 - 41% open · ⏱️ 09.10.2025):

git clone https://github.com/Tinche/aiofiles

- [PyPi](https://pypi.org/project/aiofiles) (📥 100M / month · 📦 5.3K · ⏱️ 09.10.2025):

pip install aiofiles

- [Conda](https://anaconda.org/conda-forge/aiofiles) (📥 2.2M · ⏱️ 01.01.2026):

conda install -c conda-forge aiofiles

pyfilesystem2 (🥉30 · ⭐ 2.1K · 💤) - Pythons Filesystem abstraction layer. MIT

- [GitHub](https://github.com/PyFilesystem/pyfilesystem2) (👨‍💻 47 · 🔀 190 · 📋 380 - 28% open · ⏱️ 17.05.2025):

git clone https://github.com/pyfilesystem/pyfilesystem2

- [PyPi](https://pypi.org/project/fs) (📥 8.5M / month · 📦 410 · ⏱️ 20.07.2023):

pip install fs

- [Conda](https://anaconda.org/conda-forge/fs) (📥 1.3M · ⏱️ 22.04.2025):

conda install -c conda-forge fs

scandir (🥉25 · ⭐ 540 · 💤) - Better directory iterator and faster os.walk(). Archived, as this.. BSD-3

- [GitHub](https://github.com/benhoyt/scandir) (👨‍💻 23 · 🔀 69 · ⏱️ 27.05.2025):

git clone https://github.com/benhoyt/scandir

- [PyPi](https://pypi.org/project/scandir) (📥 2.1M / month · 📦 220 · ⏱️ 09.03.2019):

pip install scandir

- [Conda](https://anaconda.org/conda-forge/scandir) (📥 1.8M · ⏱️ 22.08.2025):

conda install -c conda-forge scandir

Show 4 hidden projects...

- appdirs (🥉32 · ⭐ 1.1K · 💀) - A small Python module for determining appropriate platform-specific.. MIT - path (🥉29 · ⭐ 1.1K · 💤) - Object-oriented file system path manipulation. ❗Unlicensed - zipp (🥉29 · ⭐ 67) - Backport of pathlib-compatible object wrapper for zip files. ❗Unlicensed - Unipath (🥉23 · ⭐ 510 · 💀) - An object-oriented approach to Python file/directory operations. MIT

Compatiblity

six (🥇38 · ⭐ 1K) - Python 2 and 3 compatibility library. MIT

- [GitHub](https://github.com/benjaminp/six) (👨‍💻 68 · 🔀 270 · 📦 2.7M · 📋 300 - 36% open · ⏱️ 23.02.2026):

git clone https://github.com/benjaminp/six

- [PyPi](https://pypi.org/project/six) (📥 820M / month · 📦 25K · ⏱️ 04.12.2024):

pip install six

- [Conda](https://anaconda.org/conda-forge/six) (📥 88M · ⏱️ 22.07.2025):

conda install -c conda-forge six

typing (🥈33 · ⭐ 1.7K) - Python static typing home. Hosts the documentation and a user help.. Python-2.0

- [GitHub](https://github.com/python/typing) (👨‍💻 140 · 🔀 290 · 📋 890 - 21% open · ⏱️ 25.02.2026):

git clone https://github.com/python/typing

- [PyPi](https://pypi.org/project/typing) (📥 5.8M / month · 📦 3.3K · ⏱️ 01.05.2021):

pip install typing

- [Conda](https://anaconda.org/conda-forge/typing) (📥 3.8M · ⏱️ 22.04.2025):

conda install -c conda-forge typing

Show 5 hidden projects...

- future (🥈37 · ⭐ 1.2K · 💀) - Easy, clean, reliable Python 2/3 compatibility. MIT - dataclasses (🥉27 · ⭐ 590 · 💀) - A backport of the dataclasses module for Python 3.6. Apache-2 - pathlib2 (🥉27 · ⭐ 85 · 💀) - Backport of pathlib aiming to support the full stdlib Python API. MIT - futures (🥉26 · ⭐ 240 · 💀) - Backport of the concurrent.futures package to Python 2.6 and 2.7. Python-2.0 - contextlib2 (🥉26 · ⭐ 38) - contextlib2 is a backport of the standard librarys contextlib.. ❗️psfrag

Cryptography

bcrypt (🥈40 · ⭐ 1.4K) - Modern(-ish) password hashing for your software and your servers. Apache-2

- [GitHub](https://github.com/pyca/bcrypt) (👨‍💻 40 · 🔀 200 · 📦 350K · 📋 160 - 3% open · ⏱️ 26.02.2026):

git clone https://github.com/pyca/bcrypt

- [PyPi](https://pypi.org/project/bcrypt) (📥 160M / month · 📦 2K · ⏱️ 25.09.2025):

pip install bcrypt

- [Conda](https://anaconda.org/conda-forge/bcrypt) (📥 9.5M · ⏱️ 07.11.2025):

conda install -c conda-forge bcrypt

pycryptodomex (🥉36 · ⭐ 3.2K) - A self-contained cryptographic library for Python. BSD-3

- [GitHub](https://github.com/Legrandin/pycryptodome) (👨‍💻 160 · 🔀 540 · 📥 2.4K · 📦 140K · 📋 640 - 12% open · ⏱️ 16.11.2025):

git clone https://github.com/Legrandin/pycryptodome

- [PyPi](https://pypi.org/project/pycryptodomex) (📥 49M / month · 📦 1.6K · ⏱️ 17.05.2025):

pip install pycryptodomex

- [Conda](https://anaconda.org/conda-forge/pycryptodomex) (📥 2.6M · ⏱️ 13.09.2025):

conda install -c conda-forge pycryptodomex

rsa (🥉29 · ⭐ 500 · 💤) - Python-RSA is a pure-Python RSA implementation. Apache-2

- [GitHub](https://github.com/sybrenstuvel/python-rsa) (👨‍💻 43 · 🔀 120 · 📋 140 - 20% open · ⏱️ 16.04.2025):

git clone https://github.com/sybrenstuvel/python-rsa

- [PyPi](https://pypi.org/project/rsa) (📥 400M / month · 📦 1.9K · ⏱️ 16.04.2025):

pip install rsa

- [Conda](https://anaconda.org/conda-forge/rsa) (📥 18M · ⏱️ 22.04.2025):

conda install -c conda-forge rsa

Show 4 hidden projects...

- cryptography (🥇45 · ⭐ 7.5K) - cryptography is a package designed to expose.. ❗Unlicensed - tink (🥈37 · ⭐ 14K · 💀) - Tink is a multi-language, cross-platform, open source library that.. Apache-2 - keyring (🥉35 · ⭐ 1.4K) - Store and access your passwords safely. ❗Unlicensed - asn1crypto (🥉32 · ⭐ 360 · 💀) - Python ASN.1 library with a focus on performance and a pythonic API. MIT

Infrastructure & DevOps

ansible (🥇48 · ⭐ 68K) - Ansible is a radically simple IT automation platform that makes your.. ❗️GPL-3.0

- [GitHub](https://github.com/ansible/ansible) (👨‍💻 6.9K · 🔀 24K · 📦 42K · 📋 34K - 2% open · ⏱️ 26.02.2026):

git clone https://github.com/ansible/ansible

- [PyPi](https://pypi.org/project/ansible) (📥 11M / month · 📦 570 · ⏱️ 24.02.2026):

pip install ansible

- [Conda](https://anaconda.org/conda-forge/ansible) (📥 1.8M · ⏱️ 10.09.2025):

conda install -c conda-forge ansible

botocore (🥇46 · ⭐ 1.6K) - The low-level, core functionality of boto3 and the AWS CLI. Apache-2

- [GitHub](https://github.com/boto/botocore) (👨‍💻 220 · 🔀 1.1K · 📦 430K · 📋 1.2K - 12% open · ⏱️ 26.02.2026):

git clone https://github.com/boto/botocore

- [PyPi](https://pypi.org/project/botocore) (📥 1.1B / month · 📦 4.3K · ⏱️ 25.02.2026):

pip install botocore

- [Conda](https://anaconda.org/conda-forge/botocore) (📥 41M · ⏱️ 26.02.2026):

conda install -c conda-forge botocore

pulumi (🥈44 · ⭐ 25K) - Pulumi - Infrastructure as Code in any programming language. Apache-2

- [GitHub](https://github.com/pulumi/pulumi) (👨‍💻 1K · 🔀 1.3K · 📥 3.7M · 📦 11K · 📋 9.1K - 27% open · ⏱️ 26.02.2026):

git clone https://github.com/pulumi/pulumi

- [PyPi](https://pypi.org/project/pulumi) (📥 5.2M / month · 📦 500 · ⏱️ 26.02.2026):

pip install pulumi

- [npm](https://www.npmjs.com/package/@pulumi/pulumi) (📥 5.3M / month · 📦 930 · ⏱️ 26.02.2026):

npm install @pulumi/pulumi

awscli (🥈44 · ⭐ 17K) - Universal Command Line Interface for Amazon Web Services. Apache-2

- [GitHub](https://github.com/aws/aws-cli) (👨‍💻 480 · 🔀 4.5K · 📥 11K · 📦 5 · 📋 5K - 12% open · ⏱️ 25.02.2026):

git clone https://github.com/aws/aws-cli

- [PyPi](https://pypi.org/project/awscli) (📥 350M / month · 📦 750 · ⏱️ 25.02.2026):

pip install awscli

- [Conda](https://anaconda.org/conda-forge/awscli) (📥 52M · ⏱️ 26.02.2026):

conda install -c conda-forge awscli

docker-compose (🥈41 · ⭐ 37K) - Define and run multi-container applications with Docker. Apache-2

- [GitHub](https://github.com/docker/compose) (👨‍💻 620 · 🔀 5.7K · 📥 14M · 📦 1.4K · 📋 8.3K - 0% open · ⏱️ 24.02.2026):

git clone https://github.com/docker/compose

- [PyPi](https://pypi.org/project/docker-compose) (📥 1.4M / month · 📦 250 · ⏱️ 10.05.2021):

pip install docker-compose

- [Conda](https://anaconda.org/conda-forge/docker-compose) (📥 790K · ⏱️ 25.02.2026):

conda install -c conda-forge docker-compose

paramiko (🥈40 · ⭐ 9.7K) - The leading native Python SSHv2 protocol library. ❗️LGPL-2.1

- [GitHub](https://github.com/paramiko/paramiko) (👨‍💻 190 · 🔀 2K · 📦 120K · 📋 2K - 57% open · ⏱️ 20.10.2025):

git clone https://github.com/paramiko/paramiko

- [PyPi](https://pypi.org/project/paramiko) (📥 130M / month · 📦 3.8K · ⏱️ 04.08.2025):

pip install paramiko

- [Conda](https://anaconda.org/conda-forge/paramiko) (📥 7.6M · ⏱️ 13.08.2025):

conda install -c conda-forge paramiko

kubernetes (🥈40 · ⭐ 7.5K) - Official Python client library for kubernetes. Apache-2

- [GitHub](https://github.com/kubernetes-client/python) (👨‍💻 240 · 🔀 3.5K · 📋 1.5K - 6% open · ⏱️ 24.02.2026):

git clone https://github.com/kubernetes-client/python

- [PyPi](https://pypi.org/project/kubernetes) (📥 140M / month · 📦 2K · ⏱️ 16.01.2026):

pip install kubernetes

- [Conda](https://anaconda.org/conda-forge/kubernetes) (📥 750K · ⏱️ 11.12.2025):

conda install -c conda-forge kubernetes

docker (🥈40 · ⭐ 7.2K · 📈) - A Python library for the Docker Engine API. Apache-2

- [GitHub](https://github.com/docker/docker-py) (👨‍💻 460 · 🔀 1.7K · 📥 1.9K · 📦 120K · 📋 1.8K - 30% open · ⏱️ 24.11.2025):

git clone https://github.com/docker/docker-py

- [PyPi](https://pypi.org/project/docker) (📥 120M / month · 📦 3.7K · ⏱️ 23.05.2024):

pip install docker

- [Conda](https://anaconda.org/conda-forge/docker-py) (📥 6.4M · ⏱️ 22.04.2025):

conda install -c conda-forge docker-py

netmiko (🥉37 · ⭐ 4.1K) - Multi-vendor library to simplify Paramiko SSH connections to network.. MIT

- [GitHub](https://github.com/ktbyers/netmiko) (👨‍💻 270 · 🔀 1.4K · 📦 5.5K · 📋 2.2K - 4% open · ⏱️ 21.02.2026):

git clone https://github.com/ktbyers/netmiko

- [PyPi](https://pypi.org/project/netmiko) (📥 760K / month · 📦 220 · ⏱️ 26.06.2025):

pip install netmiko

plumbum (🥉36 · ⭐ 3K · 📈) - Plumbum: Shell Combinators. MIT

- [GitHub](https://github.com/tomerfiliba/plumbum) (👨‍💻 120 · 🔀 200 · 📦 9.2K · 📋 380 - 37% open · ⏱️ 18.02.2026):

git clone https://github.com/tomerfiliba/plumbum

- [PyPi](https://pypi.org/project/plumbum) (📥 3.7M / month · 📦 360 · ⏱️ 31.10.2025):

pip install plumbum

- [Conda](https://anaconda.org/conda-forge/plumbum) (📥 1.3M · ⏱️ 31.10.2025):

conda install -c conda-forge plumbum

fabric (🥉35 · ⭐ 15K · 💤) - Simple, Pythonic remote execution and deployment. BSD-2

- [GitHub](https://github.com/fabric/fabric) (👨‍💻 140 · 🔀 2K · 📦 21 · 📋 1.8K - 26% open · ⏱️ 20.07.2025):

git clone https://github.com/fabric/fabric

- [PyPi](https://pypi.org/project/fabric) (📥 11M / month · 📦 400 · ⏱️ 31.08.2023):

pip install fabric

- [Conda](https://anaconda.org/conda-forge/fabric) (📥 310K · ⏱️ 22.04.2025):

conda install -c conda-forge fabric

pyinfra (🥉33 · ⭐ 4.8K) - pyinfra turns Python code into shell commands and runs them on your.. MIT

- [GitHub](https://github.com/pyinfra-dev/pyinfra) (👨‍💻 180 · 🔀 460 · 📦 200 · 📋 890 - 19% open · ⏱️ 26.02.2026):

git clone https://github.com/Fizzadar/pyinfra

- [PyPi](https://pypi.org/project/pyinfra) (📥 210K / month · 📦 29 · ⏱️ 02.02.2026):

pip install pyinfra

sshtunnel (🥉32 · ⭐ 1.3K) - SSH tunnels to remote server. MIT

- [GitHub](https://github.com/pahaz/sshtunnel) (👨‍💻 27 · 🔀 190 · 📦 9.6K · 📋 210 - 30% open · ⏱️ 27.08.2025):

git clone https://github.com/pahaz/sshtunnel

- [PyPi](https://pypi.org/project/sshtunnel) (📥 31M / month · 📦 350 · ⏱️ 11.01.2021):

pip install sshtunnel

- [Conda](https://anaconda.org/conda-forge/sshtunnel) (📥 360K · ⏱️ 22.04.2025):

conda install -c conda-forge sshtunnel

Show 7 hidden projects...

- schedule (🥉35 · ⭐ 12K · 💀) - Python job scheduling for humans. MIT - parallel-ssh (🥉27 · ⭐ 1.3K) - Asynchronous parallel SSH client library. ❗️LGPL-2.1 - fabtools (🥉25 · ⭐ 1.3K · 💀) - Tools for writing awesome Fabric files. BSD-2 - storm (🥉23 · ⭐ 3.9K · 💀) - Manage your SSH like a boss. MIT - pypyr (🥉21 · ⭐ 640 · 💀) - pypyr task-runner cli & api for automation pipelines. Automate.. Apache-2 - wssh (🥉17 · ⭐ 1.4K · 💀) - SSH to WebSockets Bridge. MIT - Grai (🥉11 · ⭐ 310 · 💤) - Platform to programmatically manage, test, and debug data.. ❗️MIT-0

Process Utilities

supervisor (🥇37 · ⭐ 9K) - Supervisor process control system for Unix.. ❗️Repoze Public License

- [GitHub](https://github.com/Supervisor/supervisor) (👨‍💻 180 · 🔀 1.3K · 📦 13K · 📋 1.2K - 13% open · ⏱️ 21.12.2025):

git clone https://github.com/Supervisor/supervisor

- [PyPi](https://pypi.org/project/supervisor) (📥 6.3M / month · 📦 160 · ⏱️ 23.08.2025):

pip install supervisor

- [Conda](https://anaconda.org/conda-forge/supervisor) (📥 610K · ⏱️ 17.02.2026):

conda install -c conda-forge supervisor

pexpect (🥇37 · ⭐ 2.8K · 💤) - A Python module for controlling interactive programs in a pseudo-.. ISC

- [GitHub](https://github.com/pexpect/pexpect) (👨‍💻 110 · 🔀 490 · 📥 4.5K · 📦 510K · 📋 510 - 32% open · ⏱️ 11.04.2025):

git clone https://github.com/pexpect/pexpect

- [PyPi](https://pypi.org/project/pexpect) (📥 160M / month · 📦 1.8K · ⏱️ 25.11.2023):

pip install pexpect

- [Conda](https://anaconda.org/conda-forge/pexpect) (📥 36M · ⏱️ 22.04.2025):

conda install -c conda-forge pexpect

sh (🥉34 · ⭐ 7.2K) - Python process launching. MIT

- [GitHub](https://github.com/amoffat/sh) (👨‍💻 110 · 🔀 500 · 📥 100 · 📦 18K · 📋 500 - 2% open · ⏱️ 01.11.2025):

git clone https://github.com/amoffat/sh

- [PyPi](https://pypi.org/project/sh) (📥 17M / month · 📦 760 · ⏱️ 24.02.2025):

pip install sh

- [Conda](https://anaconda.org/conda-forge/sh) (📥 390K · ⏱️ 22.04.2025):

conda install -c conda-forge sh

ptyprocess (🥉26 · ⭐ 240 · 💤) - Run a subprocess in a pseudo terminal. ISC

- [GitHub](https://github.com/pexpect/ptyprocess) (👨‍💻 21 · 🔀 72 · 📋 40 - 50% open · ⏱️ 17.07.2025):

git clone https://github.com/pexpect/ptyprocess

- [PyPi](https://pypi.org/project/ptyprocess) (📥 160M / month · 📦 770 · ⏱️ 28.12.2020):

pip install ptyprocess

- [Conda](https://anaconda.org/conda-forge/ptyprocess) (📥 33M · ⏱️ 22.04.2025):

conda install -c conda-forge ptyprocess

Asynchronous Programming

anyio (🥇41 · ⭐ 2.4K) - High level asynchronous concurrency and networking framework that works on.. MIT

- [GitHub](https://github.com/agronholm/anyio) (👨‍💻 68 · 🔀 180 · 📦 620K · 📋 440 - 17% open · ⏱️ 25.02.2026):

git clone https://github.com/agronholm/anyio

- [PyPi](https://pypi.org/project/anyio) (📥 480M / month · 📦 4.7K · ⏱️ 06.01.2026):

pip install anyio

- [Conda](https://anaconda.org/conda-forge/anyio) (📥 32M · ⏱️ 06.01.2026):

conda install -c conda-forge anyio

uvloop (🥈40 · ⭐ 12K) - Ultra fast asyncio event loop. Apache-2

- [GitHub](https://github.com/MagicStack/uvloop) (👨‍💻 72 · 🔀 580 · 📥 640 · 📦 210K · 📋 430 - 34% open · ⏱️ 30.01.2026):

git clone https://github.com/MagicStack/uvloop

- [PyPi](https://pypi.org/project/uvloop) (📥 100M / month · 📦 2K · ⏱️ 16.10.2025):

pip install uvloop

- [Conda](https://anaconda.org/conda-forge/uvloop) (📥 2.9M · ⏱️ 07.11.2025):

conda install -c conda-forge uvloop

asyncer (🥉32 · ⭐ 2.4K) - Asyncer, async and await, focused on developer experience. MIT

- [GitHub](https://github.com/fastapi/asyncer) (👨‍💻 22 · 🔀 83 · 📦 7.6K · 📋 6 - 16% open · ⏱️ 24.02.2026):

git clone https://github.com/tiangolo/asyncer

- [PyPi](https://pypi.org/project/asyncer) (📥 5.8M / month · 📦 280 · ⏱️ 21.02.2026):

pip install asyncer

- [Conda](https://anaconda.org/conda-forge/asyncer) (📥 30K · ⏱️ 21.02.2026):

conda install -c conda-forge asyncer

aiomisc (🥉25 · ⭐ 420) - aiomisc - miscellaneous utils for asyncio. MIT

- [GitHub](https://github.com/aiokitchen/aiomisc) (👨‍💻 21 · 🔀 27 · 📦 440 · 📋 27 - 33% open · ⏱️ 09.02.2026):

git clone https://github.com/aiokitchen/aiomisc

- [PyPi](https://pypi.org/project/aiomisc) (📥 58K / month · 📦 60 · ⏱️ 09.02.2026):

pip install aiomisc

Show 3 hidden projects...

- greenlet (🥈39 · ⭐ 1.8K) - Lightweight in-process concurrent programming. ❗Unlicensed - stopit (🥉23 · ⭐ 120 · 💀) - Raise asynchronous exceptions in other thread, control the timeout of.. MIT - unsync (🥉22 · ⭐ 900 · 💀) - Unsynchronize asyncio. MIT

Configuration

python-dotenv (🥇42 · ⭐ 8.7K) - Reads key-value pairs from a .env file and can set them as.. BSD-3

- [GitHub](https://github.com/theskumar/python-dotenv) (👨‍💻 110 · 🔀 490 · 📦 1.7M · 📋 340 - 20% open · ⏱️ 12.01.2026):

git clone https://github.com/theskumar/python-dotenv

- [PyPi](https://pypi.org/project/python-dotenv) (📥 350M / month · 📦 25K · ⏱️ 26.10.2025):

pip install python-dotenv

- [Conda](https://anaconda.org/conda-forge/python-dotenv) (📥 10M · ⏱️ 26.10.2025):

conda install -c conda-forge python-dotenv

traitlets (🥈36 · ⭐ 650) - A lightweight Traits like module. BSD-3

- [GitHub](https://github.com/ipython/traitlets) (👨‍💻 120 · 🔀 210 · 📥 740 · 📦 600K · 📋 310 - 35% open · ⏱️ 25.02.2026):

git clone https://github.com/ipython/traitlets

- [PyPi](https://pypi.org/project/traitlets) (📥 99M / month · 📦 1.5K · ⏱️ 19.04.2024):

pip install traitlets

- [Conda](https://anaconda.org/conda-forge/traitlets) (📥 48M · ⏱️ 22.04.2025):

conda install -c conda-forge traitlets

hydra (🥈33 · ⭐ 10K) - Hydra is a framework for elegantly configuring complex applications. MIT

- [GitHub](https://github.com/facebookresearch/hydra) (👨‍💻 120 · 🔀 800 · 📦 42K · 📋 1.5K - 22% open · ⏱️ 11.12.2025):

git clone https://github.com/facebookresearch/hydra

- [PyPi](https://pypi.org/project/hydra) (📥 9.2K / month · 📦 13 · ⏱️ 03.08.2016):

pip install hydra

- [Conda](https://anaconda.org/conda-forge/hydra-core) (📥 1.5M · ⏱️ 22.04.2025):

conda install -c conda-forge hydra-core

omegaconf (🥉31 · ⭐ 2.3K) - Flexible Python configuration system. The last one you will ever need. BSD-3

- [GitHub](https://github.com/omry/omegaconf) (👨‍💻 37 · 🔀 150 · 📦 60K · 📋 600 - 24% open · ⏱️ 29.11.2025):

git clone https://github.com/omry/omegaconf

- [PyPi](https://pypi.org/project/omegaconf) (📥 31M / month · 📦 1.8K · ⏱️ 30.10.2025):

pip install omegaconf

- [Conda](https://anaconda.org/conda-forge/omegaconf) (📥 2.2M · ⏱️ 22.04.2025):

conda install -c conda-forge omegaconf

gin-config (🥉28 · ⭐ 2.1K) - Gin provides a lightweight configuration framework for Python. Apache-2

- [GitHub](https://github.com/google/gin-config) (👨‍💻 26 · 🔀 120 · 📦 13K · 📋 100 - 58% open · ⏱️ 14.01.2026):

git clone https://github.com/google/gin-config

- [PyPi](https://pypi.org/project/gin-config) (📥 540K / month · 📦 75 · ⏱️ 03.11.2021):

pip install gin-config

- [Conda](https://anaconda.org/conda-forge/gin-config) (📥 33K · ⏱️ 22.04.2025):

conda install -c conda-forge gin-config

configobj (🥉28 · ⭐ 340 · 💤) - Python 3+ compatible port of the configobj library. BSD-3

- [GitHub](https://github.com/DiffSK/configobj) (👨‍💻 13 · 🔀 82 · 📥 2.2K · 📦 49K · 📋 180 - 39% open · ⏱️ 06.06.2025):

git clone https://github.com/DiffSK/configobj

- [PyPi](https://pypi.org/project/configobj) (📥 7.2M / month · 📦 650 · ⏱️ 21.09.2024):

pip install configobj

- [Conda](https://anaconda.org/conda-forge/configobj) (📥 1.1M · ⏱️ 22.04.2025):

conda install -c conda-forge configobj

Dynaconf (🥉27 · ⭐ 4.2K · 💤) - dynaconf mirror (mainly for stats)- ORIGINAL REPO ON -.. MIT

- [GitHub](https://github.com/rochacbruno/dynaconf-mirror) (👨‍💻 130 · 🔀 310 · ⏱️ 07.05.2025):

git clone https://github.com/rochacbruno/dynaconf

- [PyPi](https://pypi.org/project/dynaconf) (📥 4.9M / month · 📦 640 · ⏱️ 10.10.2025):

pip install dynaconf

- [Conda](https://anaconda.org/conda-forge/dynaconf) (📥 170K · ⏱️ 13.10.2025):

conda install -c conda-forge dynaconf

everett (🥉22 · ⭐ 150) - configuration library for python projects. MPL-2.0

- [GitHub](https://github.com/willkg/everett) (👨‍💻 9 · 🔀 14 · 📋 96 - 4% open · ⏱️ 15.10.2025):

git clone https://github.com/willkg/everett

- [PyPi](https://pypi.org/project/everett) (📥 750K / month · 📦 22 · ⏱️ 15.10.2025):

pip install everett

- [Conda](https://anaconda.org/conda-forge/everett) (📥 100K · ⏱️ 22.04.2025):

conda install -c conda-forge everett

Show 1 hidden projects...

- python-decouple (🥈32 · ⭐ 3K · 💀) - Strict separation of config from code. MIT

CLI Development

rich (🥇47 · ⭐ 56K) - Rich is a Python library for rich text and beautiful formatting in the terminal. MIT

- [GitHub](https://github.com/Textualize/rich) (👨‍💻 290 · 🔀 2K · 📦 500K · 📋 1.6K - 19% open · ⏱️ 26.02.2026):

git clone https://github.com/Textualize/rich

- [PyPi](https://pypi.org/project/rich) (📥 340M / month · 📦 35K · ⏱️ 19.02.2026):

pip install rich

- [Conda](https://anaconda.org/conda-forge/rich) (📥 18M · ⏱️ 20.02.2026):

conda install -c conda-forge rich

click (🥇47 · ⭐ 17K) - Python composable command line interface toolkit. BSD-3

- [GitHub](https://github.com/pallets/click) (👨‍💻 420 · 🔀 1.5K · 📥 4.3K · 📦 2.3M · 📋 1.8K - 8% open · ⏱️ 31.12.2025):

git clone https://github.com/pallets/click

- [PyPi](https://pypi.org/project/click) (📥 570M / month · 📦 54K · ⏱️ 15.11.2025):

pip install click

- [Conda](https://anaconda.org/conda-forge/click) (📥 58M · ⏱️ 30.11.2025):

conda install -c conda-forge click

Typer (🥈42 · ⭐ 19K) - Typer, build great CLIs. Easy to code. Based on Python type hints. MIT

- [GitHub](https://github.com/fastapi/typer) (👨‍💻 100 · 🔀 850 · 📦 240K · 📋 340 - 4% open · ⏱️ 25.02.2026):

git clone https://github.com/tiangolo/typer

- [PyPi](https://pypi.org/project/typer) (📥 170M / month · 📦 18K · ⏱️ 21.02.2026):

pip install typer

- [Conda](https://anaconda.org/conda-forge/typer) (📥 9.2M · ⏱️ 17.02.2026):

conda install -c conda-forge typer

python-fire (🥈37 · ⭐ 28K) - Python Fire is a library for automatically generating command.. Apache-2

- [GitHub](https://github.com/google/python-fire) (👨‍💻 67 · 🔀 1.5K · 📦 52K · 📋 360 - 42% open · ⏱️ 16.08.2025):

git clone https://github.com/google/python-fire

- [PyPi](https://pypi.org/project/fire) (📥 16M / month · 📦 3K · ⏱️ 16.08.2025):

pip install fire

- [Conda](https://anaconda.org/conda-forge/fire) (📥 1.4M · ⏱️ 12.09.2025):

conda install -c conda-forge fire

python-prompt-toolkit (🥈37 · ⭐ 10K) - Library for building powerful interactive command line.. BSD-3

- [GitHub](https://github.com/prompt-toolkit/python-prompt-toolkit) (👨‍💻 240 · 🔀 750 · 📋 1.3K - 54% open · ⏱️ 17.11.2025):

git clone https://github.com/prompt-toolkit/python-prompt-toolkit

- [PyPi](https://pypi.org/project/prompt_toolkit) (📥 140M / month · 📦 4.2K · ⏱️ 27.08.2025):

pip install prompt_toolkit

- [Conda](https://anaconda.org/conda-forge/prompt-toolkit) (📥 41M · ⏱️ 27.08.2025):

conda install -c conda-forge prompt-toolkit

colorama (🥈36 · ⭐ 3.8K · 💤) - Simple cross-platform colored terminal text in Python. BSD-3

- [GitHub](https://github.com/tartley/colorama) (👨‍💻 52 · 🔀 270 · 📦 1.4M · 📋 270 - 47% open · ⏱️ 09.07.2025):

git clone https://github.com/tartley/colorama

- [PyPi](https://pypi.org/project/colorama) (📥 330M / month · 📦 15K · ⏱️ 25.10.2022):

pip install colorama

- [Conda](https://anaconda.org/conda-forge/colorama) (📥 62M · ⏱️ 22.04.2025):

conda install -c conda-forge colorama

docopt (🥈35 · ⭐ 8K · 💤) - Create *beautiful* command-line interfaces with Python. MIT

- [GitHub](https://github.com/docopt/docopt) (👨‍💻 34 · 🔀 560 · 📦 150K · 📋 450 - 58% open · ⏱️ 23.06.2025):

git clone https://github.com/docopt/docopt

- [PyPi](https://pypi.org/project/docopt) (📥 16M / month · 📦 3.4K · ⏱️ 16.06.2014):

pip install docopt

- [Conda](https://anaconda.org/conda-forge/docopt) (📥 2.7M · ⏱️ 22.04.2025):

conda install -c conda-forge docopt

argcomplete (🥉34 · ⭐ 1.6K) - Python and tab completion, better together. Apache-2

- [GitHub](https://github.com/kislyuk/argcomplete) (👨‍💻 83 · 🔀 140 · 📥 1.4K · 📦 71K · 📋 300 - 22% open · ⏱️ 20.10.2025):

git clone https://github.com/kislyuk/argcomplete

- [PyPi](https://pypi.org/project/argcomplete) (📥 64M / month · 📦 1.8K · ⏱️ 20.10.2025):

pip install argcomplete

- [Conda](https://anaconda.org/conda-forge/argcomplete) (📥 3.1M · ⏱️ 20.10.2025):

conda install -c conda-forge argcomplete

cleo (🥉33 · ⭐ 1.3K) - Cleo allows you to create beautiful and testable command-line interfaces. MIT

- [GitHub](https://github.com/python-poetry/cleo) (👨‍💻 38 · 🔀 87 · 📦 29K · 📋 120 - 30% open · ⏱️ 20.12.2025):

git clone https://github.com/sdispater/cleo

- [PyPi](https://pypi.org/project/cleo) (📥 65M / month · 📦 390 · ⏱️ 18.11.2024):

pip install cleo

- [Conda](https://anaconda.org/conda-forge/cleo) (📥 6.5M · ⏱️ 22.04.2025):

conda install -c conda-forge cleo

questionary (🥉32 · ⭐ 2K) - Python library to build pretty command line user prompts Easy to use.. MIT

- [GitHub](https://github.com/tmbo/questionary) (👨‍💻 53 · 🔀 100 · 📦 21K · 📋 190 - 38% open · ⏱️ 12.02.2026):

git clone https://github.com/tmbo/questionary

- [PyPi](https://pypi.org/project/questionary) (📥 14M / month · 📦 1.4K · ⏱️ 28.08.2025):

pip install questionary

- [Conda](https://anaconda.org/conda-forge/questionary) (📥 290K · ⏱️ 08.09.2025):

conda install -c conda-forge questionary

asciimatics (🥉30 · ⭐ 4.3K · 💤) - A cross platform package to do curses-like operations, plus.. Apache-2

- [GitHub](https://github.com/peterbrittain/asciimatics) (👨‍💻 45 · 🔀 260 · 📦 1.2K · 📋 310 - 7% open · ⏱️ 31.05.2025):

git clone https://github.com/peterbrittain/asciimatics

- [PyPi](https://pypi.org/project/asciimatics) (📥 60K / month · 📦 120 · ⏱️ 25.10.2023):

pip install asciimatics

- [Conda](https://anaconda.org/conda-forge/asciimatics) (📥 250K · ⏱️ 22.04.2025):

conda install -c conda-forge asciimatics

ConfigArgParse (🥉30 · ⭐ 760) - Drop-in replacement for argparse with added support for config.. MIT

- [GitHub](https://github.com/bw2/ConfigArgParse) (👨‍💻 56 · 🔀 120 · 📦 25K · 📋 220 - 39% open · ⏱️ 06.08.2025):

git clone https://github.com/bw2/ConfigArgParse

- [PyPi](https://pypi.org/project/configargparse) (📥 14M / month · 📦 670 · ⏱️ 13.06.2025):

pip install configargparse

- [Conda](https://anaconda.org/conda-forge/configargparse) (📥 1.7M · ⏱️ 26.05.2025):

conda install -c conda-forge configargparse

blessings (🥉28 · ⭐ 1.5K) - A thin, practical wrapper around terminal capabilities in Python. MIT

- [GitHub](https://github.com/erikrose/blessings) (👨‍💻 17 · 🔀 140 · 📦 11K · 📋 90 - 38% open · ⏱️ 28.08.2025):

git clone https://github.com/erikrose/blessings

- [PyPi](https://pypi.org/project/blessings) (📥 1.1M / month · 📦 460 · ⏱️ 21.06.2018):

pip install blessings

- [Conda](https://anaconda.org/conda-forge/blessings) (📥 440K · ⏱️ 26.08.2025):

conda install -c conda-forge blessings

Click Extra (🥉24 · ⭐ 110) - Drop-in replacement for Click to make user-friendly and.. ❗️GPL-2.0

- [GitHub](https://github.com/kdeldycke/click-extra) (👨‍💻 14 · 🔀 8 · 📥 500 · 📦 110 · 📋 110 - 11% open · ⏱️ 26.02.2026):

git clone https://github.com/kdeldycke/click-extra

- [PyPi](https://pypi.org/project/click-extra) (📥 100K / month · 📦 42 · ⏱️ 26.02.2026):

pip install click-extra

Show 6 hidden projects...

- wcwidth (🥈35 · ⭐ 440) - Python library that measures the width of strings in a terminal. ❗Unlicensed - docopt-ng (🥉24 · ⭐ 220 · 💀) - Humane command line arguments parser. Now with maintenance,.. MIT - clint (🥉23 · ⭐ 97 · 💀) - Python Command-line Application Tools. ISC - bashplotlib (🥉22 · ⭐ 1.9K · 💀) - plotting in the terminal. MIT - colout (🥉18 · ⭐ 1.2K · 💀) - Color text streams with a polished command line interface. ❗️GPL-3.0 - onecite (🥉14 · ⭐ 56 · 🐣) - An intelligent toolkit to automatically parse, complete, and format.. MIT

Development Tools

🔗 best-of-python-dev ( ⭐ 1.2K) - A ranked list of awesome python developer tools and libraries. Updated..

Data Caching

cachetools (🥇39 · ⭐ 2.7K) - Extensible memoizing collections and decorators. MIT

- [GitHub](https://github.com/tkem/cachetools) (👨‍💻 19 · 🔀 180 · 📦 690K · 📋 270 - 0% open · ⏱️ 10.02.2026):

git clone https://github.com/tkem/cachetools

- [PyPi](https://pypi.org/project/cachetools) (📥 240M / month · 📦 4.4K · ⏱️ 10.02.2026):

pip install cachetools

- [Conda](https://anaconda.org/conda-forge/cachetools) (📥 19M · ⏱️ 11.02.2026):

conda install -c conda-forge cachetools

aiocache (🥈32 · ⭐ 1.4K) - Asyncio cache manager for redis, memcached and memory. BSD-3

- [GitHub](https://github.com/aio-libs/aiocache) (👨‍💻 51 · 🔀 170 · 📥 75 · 📦 4.7K · 📋 340 - 18% open · ⏱️ 28.11.2025):

git clone https://github.com/aio-libs/aiocache

- [PyPi](https://pypi.org/project/aiocache) (📥 8.8M / month · 📦 150 · ⏱️ 25.09.2024):

pip install aiocache

beaker (🥉28 · ⭐ 550) - WSGI middleware for sessions and caching. BSD-3

- [GitHub](https://github.com/bbangert/beaker) (👨‍💻 93 · 🔀 140 · 📦 6.2K · 📋 150 - 51% open · ⏱️ 03.12.2025):

git clone https://github.com/bbangert/beaker

- [PyPi](https://pypi.org/project/beaker) (📥 130K / month · 📦 90 · ⏱️ 11.04.2024):

pip install beaker

- [Conda](https://anaconda.org/conda-forge/beaker) (📥 130K · ⏱️ 22.04.2025):

conda install -c conda-forge beaker

pylibmc (🥉27 · ⭐ 490 · 💤) - A Python wrapper around the libmemcached interface from TangentOrg. BSD-3

- [GitHub](https://github.com/lericson/pylibmc) (👨‍💻 56 · 🔀 140 · 📥 1.4K · 📦 5.8K · 📋 200 - 13% open · ⏱️ 12.04.2025):

git clone https://github.com/lericson/pylibmc

- [PyPi](https://pypi.org/project/pylibmc) (📥 320K / month · 📦 79 · ⏱️ 30.08.2022):

pip install pylibmc

- [Conda](https://anaconda.org/conda-forge/pylibmc) (📥 400K · ⏱️ 28.08.2025):

conda install -c conda-forge pylibmc

cachier (🥉26 · ⭐ 650) - Persistent, stale-free, local and cross-machine caching for Python.. MIT

- [GitHub](https://github.com/python-cachier/cachier) (👨‍💻 28 · 🔀 72 · 📥 120 · 📦 590 · 📋 99 - 18% open · ⏱️ 22.02.2026):

git clone https://github.com/shaypal5/cachier

- [PyPi](https://pypi.org/project/cachier) (📥 300K / month · 📦 51 · ⏱️ 15.07.2025):

pip install cachier

Show 1 hidden projects...

- cached-property (🥈29 · ⭐ 700 · 💀) - A decorator for caching properties in classes. BSD-3

GUI Development

🔗 best-of-web-python - Web UI ( ⭐ 2.7K) - Collection of libraries to implement web-based UIs.

kivy (🥇40 · ⭐ 19K) - Open source UI framework written in Python, running on Windows, Linux, macOS,.. MIT

- [GitHub](https://github.com/kivy/kivy) (👨‍💻 630 · 🔀 3.1K · 📥 44K · 📦 18K · 📋 5.3K - 16% open · ⏱️ 19.02.2026):

git clone https://github.com/kivy/kivy

- [PyPi](https://pypi.org/project/kivy) (📥 260K / month · 📦 360 · ⏱️ 26.12.2024):

pip install kivy

- [Conda](https://anaconda.org/conda-forge/kivy) (📥 620K · ⏱️ 03.11.2025):

conda install -c conda-forge kivy

DearPyGui (🥈37 · ⭐ 15K) - Dear PyGui: A fast and powerful Graphical User Interface Toolkit for.. MIT

- [GitHub](https://github.com/hoffstadt/DearPyGui) (👨‍💻 73 · 🔀 760 · 📦 4.4K · 📋 1.5K - 26% open · ⏱️ 04.02.2026):

git clone https://github.com/hoffstadt/DearPyGui

- [PyPi](https://pypi.org/project/dearpygui) (📥 190K / month · 📦 190 · ⏱️ 17.02.2026):

pip install dearpygui

toga (🥈34 · ⭐ 5.3K) - A Python native, OS native GUI toolkit. BSD-3

- [GitHub](https://github.com/beeware/toga) (👨‍💻 330 · 🔀 790 · 📥 9.7K · 📦 3 · 📋 1.3K - 23% open · ⏱️ 26.02.2026):

git clone https://github.com/beeware/toga

- [PyPi](https://pypi.org/project/toga) (📥 19K / month · 📦 41 · ⏱️ 03.12.2025):

pip install toga

- [npm](https://www.npmjs.com/package/@pybee/toga) (📥 34 / month · 📦 5 · ⏱️ 23.04.2017):

npm install @pybee/toga

Eel (🥉27 · ⭐ 6.8K · 💤) - A little Python library for making simple Electron-like HTML/JS GUI apps. MIT

- [GitHub](https://github.com/python-eel/Eel) (👨‍💻 49 · 🔀 600 · 📋 550 - 34% open · ⏱️ 22.06.2025):

git clone https://github.com/ChrisKnott/Eel

- [PyPi](https://pypi.org/project/eel) (📥 95K / month · 📦 100 · ⏱️ 22.06.2025):

pip install eel

Show 5 hidden projects...

- PySimpleGUI (🥈32 · ⭐ 14K) - PySimpleGUI is a Python package that enables Python.. ❗️PySimpleGUI License - Gooey (🥉30 · ⭐ 22K · 💀) - Turn (almost) any Python command line program into a full GUI.. MIT - Phoenix (🥉28 · ⭐ 2.6K) - wxPythons Project Phoenix. A new implementation of wxPython,.. ❗️wxWindows - enaml (🥉27 · ⭐ 1.6K) - Declarative User Interfaces for Python. ❗Unlicensed - flexx (🥉26 · ⭐ 3.3K · 💀) - Write desktop and web apps in pure Python. BSD-2

Computer & Machine Vision

🔗 best-of-ml-python - Computer Vision ( ⭐ 23K) - Collection of computer vision and image processing..

Show 1 hidden projects...

- Pipeless (🥇15 · ⭐ 840 · 💀) - An open-source framework to create and deploy computer vision.. Apache-2

Machine Learning & Data Engineering

🔗 best-of-ml-python ( ⭐ 23K) - A ranked list of awesome machine learning Python libraries. Updated..

Text Data

🔗 best-of-ml-python - NLP ( ⭐ 23K) - Collection of text processing and NLP libraries.

chardet (🥇36 · ⭐ 2.3K) - Python character encoding detector. ❗️LGPL-2.1

- [GitHub](https://github.com/chardet/chardet) (👨‍💻 51 · 🔀 270 · 📦 960K · 📋 160 - 44% open · ⏱️ 24.02.2026):

git clone https://github.com/chardet/chardet

- [PyPi](https://pypi.org/project/chardet) (📥 130M / month · 📦 6.9K · ⏱️ 22.02.2026):

pip install chardet

- [Conda](https://anaconda.org/conda-forge/chardet) (📥 31M · ⏱️ 23.02.2026):

conda install -c conda-forge chardet

- [npm](https://www.npmjs.com/package/@pypi/chardet) (📥 180 / month · 📦 7 · ⏱️ 20.08.2017):

npm install @pypi/chardet

emoji (🥇35 · ⭐ 2K) - emoji terminal output for Python. BSD-3

- [GitHub](https://github.com/carpedm20/emoji) (👨‍💻 70 · 🔀 290 · 📦 91K · 📋 180 - 11% open · ⏱️ 21.09.2025):

git clone https://github.com/carpedm20/emoji

- [PyPi](https://pypi.org/project/emoji) (📥 18M / month · 📦 1.3K · ⏱️ 21.09.2025):

pip install emoji

- [Conda](https://anaconda.org/conda-forge/emoji) (📥 230K · ⏱️ 21.09.2025):

conda install -c conda-forge emoji

python-slugify (🥇35 · ⭐ 1.6K) - Returns unicode slugs. MIT

- [GitHub](https://github.com/un33k/python-slugify) (👨‍💻 40 · 🔀 110 · 📦 120K · 📋 82 - 6% open · ⏱️ 07.01.2026):

git clone https://github.com/un33k/python-slugify

- [PyPi](https://pypi.org/project/python-slugify) (📥 57M / month · 📦 1.5K · ⏱️ 08.02.2024):

pip install python-slugify

- [Conda](https://anaconda.org/conda-forge/python-slugify) (📥 3.4M · ⏱️ 22.04.2025):

conda install -c conda-forge python-slugify

phonenumbers (🥈34 · ⭐ 3.7K) - Python port of Googles libphonenumber. Apache-2

- [GitHub](https://github.com/daviddrysdale/python-phonenumbers) (👨‍💻 33 · 🔀 440 · 📋 200 - 6% open · ⏱️ 26.02.2026):

git clone https://github.com/daviddrysdale/python-phonenumbers

- [PyPi](https://pypi.org/project/phonenumbers) (📥 24M / month · 📦 820 · ⏱️ 26.02.2026):

pip install phonenumbers

- [Conda](https://anaconda.org/conda-forge/phonenumbers) (📥 1.8M · ⏱️ 13.02.2026):

conda install -c conda-forge phonenumbers

inflect (🥉32 · ⭐ 1.1K · 💤) - Correctly generate plurals, ordinals, indefinite articles; convert.. MIT

- [GitHub](https://github.com/jaraco/inflect) (👨‍💻 59 · 🔀 110 · 📦 35K · 📋 130 - 29% open · ⏱️ 14.05.2025):

git clone https://github.com/jaraco/inflect

- [PyPi](https://pypi.org/project/inflect) (📥 25M / month · 📦 720 · ⏱️ 28.12.2024):

pip install inflect

- [Conda](https://anaconda.org/conda-forge/inflect) (📥 700K · ⏱️ 22.04.2025):

conda install -c conda-forge inflect

pyahocorasick (🥉30 · ⭐ 1.1K) - Python module (C extension and plain python) implementing Aho-.. BSD-3

- [GitHub](https://github.com/WojciechMula/pyahocorasick) (👨‍💻 33 · 🔀 140 · 📥 820 · 📦 4.1K · 📋 140 - 21% open · ⏱️ 17.12.2025):

git clone https://github.com/WojciechMula/pyahocorasick

- [PyPi](https://pypi.org/project/pyahocorasick) (📥 5.2M / month · 📦 220 · ⏱️ 17.12.2025):

pip install pyahocorasick

- [Conda](https://anaconda.org/conda-forge/pyahocorasick) (📥 460K · ⏱️ 18.12.2025):

conda install -c conda-forge pyahocorasick

coolname (🥉29 · ⭐ 170) - Random Name and Slug Generator. BSD-2

- [GitHub](https://github.com/alexanderlukanin13/coolname) (👨‍💻 6 · 🔀 14 · 📦 4K · 📋 12 - 16% open · ⏱️ 22.02.2026):

git clone https://github.com/alexanderlukanin13/coolname

- [PyPi](https://pypi.org/project/coolname) (📥 3.8M / month · 📦 150 · ⏱️ 22.02.2026):

pip install coolname

- [Conda](https://anaconda.org/conda-forge/coolname) (📥 190K · ⏱️ 30.01.2026):

conda install -c conda-forge coolname

price-parser (🥉22 · ⭐ 350) - Extract price amount and currency symbol from a raw text string. BSD-3

- [GitHub](https://github.com/scrapinghub/price-parser) (👨‍💻 18 · 🔀 53 · 📦 530 · 📋 42 - 61% open · ⏱️ 12.02.2026):

git clone https://github.com/scrapinghub/price-parser

- [PyPi](https://pypi.org/project/price-parser) (📥 410K / month · 📦 39 · ⏱️ 06.10.2025):

pip install price-parser

Show 3 hidden projects...

- humanize (🥈33 · ⭐ 1.7K · 💀) - python humanize functions. MIT - awesome-slugify (🥉20 · ⭐ 490 · 💀) - Python flexible slugify function. ❗️GPL-3.0 - millify (🥉16 · ⭐ 110 · 💀) - Convert long numbers into a human-readable format in Python. MIT

Web Development

🔗 best-of-web-python ( ⭐ 2.7K) - A ranked list of awesome python libraries for web development. Updated..

Database Clients

Libraries for connecting to, operating, and querying databases.

boto3 (🥇49 · ⭐ 9.7K) - Boto3, an AWS SDK for Python. Apache-2

- [GitHub](https://github.com/boto/boto3) (👨‍💻 170 · 🔀 2K · 📦 590K · 📋 3.6K - 4% open · ⏱️ 25.02.2026):

git clone https://github.com/boto/boto3

- [PyPi](https://pypi.org/project/boto3) (📥 1.7B / month · 📦 18K · ⏱️ 25.02.2026):

pip install boto3

- [Conda](https://anaconda.org/conda-forge/boto3) (📥 30M · ⏱️ 26.02.2026):

conda install -c conda-forge boto3

peewee (🥇44 · ⭐ 12K) - a small, expressive orm -- supports postgresql, mysql, sqlite and.. MIT

- [GitHub](https://github.com/coleifer/peewee) (👨‍💻 160 · 🔀 1.4K · 📦 51K · ⏱️ 22.02.2026):

git clone https://github.com/coleifer/peewee

- [PyPi](https://pypi.org/project/peewee) (📥 25M / month · 📦 1.2K · ⏱️ 20.02.2026):

pip install peewee

- [Conda](https://anaconda.org/conda-forge/peewee) (📥 1.7M · ⏱️ 08.01.2026):

conda install -c conda-forge peewee

azure-storage-blob (🥇44 · ⭐ 5.5K) - This repository is for active development of the Azure SDK.. MIT

- [GitHub](https://github.com/Azure/azure-sdk-for-python) (👨‍💻 890 · 🔀 3.2K · 📦 2.7K · 📋 12K - 8% open · ⏱️ 26.02.2026):

git clone https://github.com/Azure/azure-sdk-for-python

- [PyPi](https://pypi.org/project/azure-storage-blob) (📥 110M / month · 📦 1.6K · ⏱️ 27.01.2026):

pip install azure-storage-blob

- [Conda](https://anaconda.org/conda-forge/azure-storage-blob) (📥 1.6M · ⏱️ 07.01.2026):

conda install -c conda-forge azure-storage-blob

redis (🥇43 · ⭐ 13K) - Redis Python client. MIT

- [GitHub](https://github.com/redis/redis-py) (👨‍💻 530 · 🔀 2.7K · 📋 1.9K - 5% open · ⏱️ 25.02.2026):

git clone https://github.com/redis/redis-py

- [PyPi](https://pypi.org/project/redis) (📥 160M / month · 📦 9.9K · ⏱️ 25.02.2026):

pip install redis

- [Conda](https://anaconda.org/conda-forge/redis-py) (📥 1.8M · ⏱️ 26.02.2026):

conda install -c conda-forge redis-py

google-cloud-storage (🥇43 · ⭐ 5.2K) - Google Cloud Client Library for Python. Apache-2

- [GitHub](https://github.com/googleapis/google-cloud-python) (👨‍💻 630 · 🔀 1.6K · 📋 4.5K - 13% open · ⏱️ 26.02.2026):

git clone https://github.com/googleapis/google-cloud-python

- [PyPi](https://pypi.org/project/google-cloud-storage) (📥 200M / month · 📦 2.7K · ⏱️ 02.02.2026):

pip install google-cloud-storage

- [Conda](https://anaconda.org/conda-forge/google-cloud-storage) (📥 6.5M · ⏱️ 02.02.2026):

conda install -c conda-forge google-cloud-storage

elasticsearch (🥇42 · ⭐ 4.4K) - Official Python client for Elasticsearch. Apache-2

- [GitHub](https://github.com/elastic/elasticsearch-py) (👨‍💻 230 · 🔀 1.2K · 📥 5.7K · 📦 64K · 📋 1.2K - 5% open · ⏱️ 24.02.2026):

git clone https://github.com/elastic/elasticsearch-py

- [PyPi](https://pypi.org/project/elasticsearch) (📥 50M / month · 📦 2K · ⏱️ 03.02.2026):

pip install elasticsearch

- [Conda](https://anaconda.org/conda-forge/elasticsearch) (📥 1.6M · ⏱️ 04.02.2026):

conda install -c conda-forge elasticsearch

kafka-python (🥇40 · ⭐ 5.9K) - Python client for Apache Kafka. Apache-2

- [GitHub](https://github.com/dpkp/kafka-python) (👨‍💻 230 · 🔀 1.4K · 📥 1.9K · 📦 36K · 📋 1.5K - 2% open · ⏱️ 25.02.2026):

git clone https://github.com/dpkp/kafka-python

- [PyPi](https://pypi.org/project/kafka-python) (📥 21M / month · 📦 890 · ⏱️ 21.11.2025):

pip install kafka-python

- [Conda](https://anaconda.org/conda-forge/kafka-python) (📥 510K · ⏱️ 21.11.2025):

conda install -c conda-forge kafka-python

Ibis (🥈39 · ⭐ 6.4K) - the portable Python dataframe library. Apache-2

- [GitHub](https://github.com/ibis-project/ibis) (👨‍💻 520 · 🔀 700 · 📥 480 · 📦 5.2K · 📋 3.6K - 12% open · ⏱️ 26.02.2026):

git clone https://github.com/ibis-project/ibis

- [PyPi](https://pypi.org/project/ibis-framework) (📥 1.8M / month · 📦 130 · ⏱️ 07.02.2026):

pip install ibis-framework

- [Conda](https://anaconda.org/conda-forge/ibis-framework) (📥 760K · ⏱️ 07.02.2026):

conda install -c conda-forge ibis-framework

pymongo (🥈39 · ⭐ 4.3K) - PyMongo - the Official MongoDB Python driver. Apache-2

- [GitHub](https://github.com/mongodb/mongo-python-driver) (👨‍💻 240 · 🔀 1.1K · 📥 4.9K · ⏱️ 23.02.2026):

git clone https://github.com/mongodb/mongo-python-driver

- [PyPi](https://pypi.org/project/pymongo) (📥 81M / month · 📦 5.9K · ⏱️ 07.01.2026):

pip install pymongo

- [Conda](https://anaconda.org/conda-forge/pymongo) (📥 5.7M · ⏱️ 11.01.2026):

conda install -c conda-forge pymongo

alembic (🥈39 · ⭐ 4K) - A database migrations tool for SQLAlchemy. MIT

- [GitHub](https://github.com/sqlalchemy/alembic) (👨‍💻 220 · 🔀 310 · 📦 340K · 📋 1.2K - 9% open · ⏱️ 22.02.2026):

git clone https://github.com/sqlalchemy/alembic

- [PyPi](https://pypi.org/project/alembic) (📥 140M / month · 📦 3K · ⏱️ 10.02.2026):

pip install alembic

- [Conda](https://anaconda.org/conda-forge/alembic) (📥 9.5M · ⏱️ 11.02.2026):

conda install -c conda-forge alembic

sqlmodel (🥈38 · ⭐ 18K) - SQL databases in Python, designed for simplicity, compatibility, and.. MIT pydantic

- [GitHub](https://github.com/fastapi/sqlmodel) (👨‍💻 100 · 🔀 810 · 📦 31K · 📋 340 - 16% open · ⏱️ 25.02.2026):

git clone https://github.com/tiangolo/sqlmodel

- [PyPi](https://pypi.org/project/sqlmodel) (📥 11M / month · 📦 1.4K · ⏱️ 21.02.2026):

pip install sqlmodel

- [Conda](https://anaconda.org/conda-forge/sqlmodel) (📥 130K · ⏱️ 23.02.2026):

conda install -c conda-forge sqlmodel

PyMySQL (🥈38 · ⭐ 7.8K) - MySQL client library for Python. MIT

- [GitHub](https://github.com/PyMySQL/PyMySQL) (👨‍💻 130 · 🔀 1.4K · 📦 290K · 📋 680 - 3% open · ⏱️ 24.08.2025):

git clone https://github.com/PyMySQL/PyMySQL

- [PyPi](https://pypi.org/project/PyMySQL) (📥 78M / month · 📦 1.8K · ⏱️ 24.08.2025):

pip install PyMySQL

- [Conda](https://anaconda.org/conda-forge/pymysql) (📥 2.1M · ⏱️ 25.08.2025):

conda install -c conda-forge pymysql

AWS Data Wrangler (🥈38 · ⭐ 4.1K) - pandas on AWS - Easy integration with Athena, Glue,.. Apache-2

- [GitHub](https://github.com/aws/aws-sdk-pandas) (👨‍💻 180 · 🔀 720 · 📥 440K · 📦 2.5K · 📋 1.3K - 2% open · ⏱️ 05.02.2026):

git clone https://github.com/awslabs/aws-data-wrangler

- [PyPi](https://pypi.org/project/awswrangler) (📥 81M / month · 📦 140 · ⏱️ 05.02.2026):

pip install awswrangler

- [Conda](https://anaconda.org/conda-forge/awswrangler) (📥 800K · ⏱️ 09.02.2026):

conda install -c conda-forge awswrangler

python-bigquery (🥈38 · ⭐ 800) - Google BigQuery API client library. Apache-2

- [GitHub](https://github.com/googleapis/python-bigquery) (👨‍💻 180 · 🔀 320 · 📦 52K · 📋 750 - 8% open · ⏱️ 12.02.2026):

git clone https://github.com/googleapis/python-bigquery

- [PyPi](https://pypi.org/project/google-cloud-bigquery) (📥 120M / month · 📦 1.5K · ⏱️ 12.02.2026):

pip install google-cloud-bigquery

- [Conda](https://anaconda.org/conda-forge/google-cloud-bigquery) (📥 3.7M · ⏱️ 13.02.2026):

conda install -c conda-forge google-cloud-bigquery

confluent-kafka-python (🥈38 · ⭐ 450) - Confluents Kafka Python Client. Apache-2

- [GitHub](https://github.com/confluentinc/confluent-kafka-python) (👨‍💻 140 · 🔀 940 · 📦 17K · 📋 1.3K - 14% open · ⏱️ 25.02.2026):

git clone https://github.com/confluentinc/confluent-kafka-python

- [PyPi](https://pypi.org/project/confluent-kafka) (📥 48M / month · 📦 800 · ⏱️ 05.01.2026):

pip install confluent-kafka

- [Conda](https://anaconda.org/conda-forge/python-confluent-kafka) (📥 1.8M · ⏱️ 06.01.2026):

conda install -c conda-forge python-confluent-kafka

tortoise-orm (🥈37 · ⭐ 5.5K) - Familiar asyncio ORM for python, built with relations in mind. Apache-2

- [GitHub](https://github.com/tortoise/tortoise-orm) (👨‍💻 170 · 🔀 460 · 📥 18 · 📦 10K · 📋 1.3K - 38% open · ⏱️ 19.02.2026):

git clone https://github.com/tortoise/tortoise-orm

- [PyPi](https://pypi.org/project/tortoise-orm) (📥 470K / month · 📦 330 · ⏱️ 19.02.2026):

pip install tortoise-orm

- [Conda](https://anaconda.org/conda-forge/tortoise-orm) (📥 54K · ⏱️ 20.02.2026):

conda install -c conda-forge tortoise-orm

s3fs (🥈37 · ⭐ 1K) - S3 Filesystem. BSD-3

- [GitHub](https://github.com/fsspec/s3fs) (👨‍💻 160 · 🔀 290 · 📦 27K · 📋 530 - 31% open · ⏱️ 18.02.2026):

git clone https://github.com/fsspec/s3fs

- [PyPi](https://pypi.org/project/s3fs) (📥 580M / month · 📦 1.7K · ⏱️ 05.02.2026):

pip install s3fs

- [Conda](https://anaconda.org/conda-forge/s3fs) (📥 9.5M · ⏱️ 06.02.2026):

conda install -c conda-forge s3fs

MongoEngine (🥈36 · ⭐ 4.4K) - A Python Object-Document-Mapper for working with MongoDB. MIT

- [GitHub](https://github.com/MongoEngine/mongoengine) (👨‍💻 400 · 🔀 1.2K · 📦 28K · 📋 1.8K - 21% open · ⏱️ 02.09.2025):

git clone https://github.com/MongoEngine/mongoengine

- [PyPi](https://pypi.org/project/mongoengine) (📥 2.1M / month · 📦 400 · ⏱️ 19.09.2024):

pip install mongoengine

- [Conda](https://anaconda.org/conda-forge/mongoengine) (📥 560K · ⏱️ 09.07.2025):

conda install -c conda-forge mongoengine

mysqlclient (🥈36 · ⭐ 2.5K) - MySQL/MariaDB connector for Python. ❗️GPL-2.0

- [GitHub](https://github.com/PyMySQL/mysqlclient) (👨‍💻 90 · 🔀 450 · 📥 5.4K · 📦 210K · 📋 340 - 2% open · ⏱️ 12.02.2026):

git clone https://github.com/PyMySQL/mysqlclient

- [PyPi](https://pypi.org/project/mysqlclient) (📥 23M / month · 📦 1.1K · ⏱️ 10.02.2026):

pip install mysqlclient

- [Conda](https://anaconda.org/conda-forge/mysqlclient) (📥 820K · ⏱️ 16.02.2026):

conda install -c conda-forge mysqlclient

s3transfer (🥈36 · ⭐ 230 · 📉) - Amazon S3 Transfer Manager for Python. Apache-2

- [GitHub](https://github.com/boto/s3transfer) (👨‍💻 45 · 🔀 150 · 📦 380K · 📋 110 - 61% open · ⏱️ 18.02.2026):

git clone https://github.com/boto/s3transfer

- [PyPi](https://pypi.org/project/s3transfer) (📥 690M / month · 📦 880 · ⏱️ 01.12.2025):

pip install s3transfer

- [Conda](https://anaconda.org/conda-forge/s3transfer) (📥 26M · ⏱️ 01.12.2025):

conda install -c conda-forge s3transfer

SQLAlchemy (🥈35 · ⭐ 12K · 📉) - The Database Toolkit for Python. MIT

- [GitHub](https://github.com/sqlalchemy/sqlalchemy) (👨‍💻 620 · 🔀 1.6K):

git clone https://github.com/sqlalchemy/sqlalchemy

- [PyPi](https://pypi.org/project/SQLAlchemy) (📥 300M / month · 📦 18K · ⏱️ 24.02.2026):

pip install SQLAlchemy

- [Conda](https://anaconda.org/conda-forge/sqlalchemy) (📥 26M · ⏱️ 24.02.2026):

conda install -c conda-forge sqlalchemy

Prometheus Client (🥈35 · ⭐ 4.3K) - Prometheus instrumentation library for Python.. Apache-2

- [GitHub](https://github.com/prometheus/client_python) (👨‍💻 180 · 🔀 840 · 📋 610 - 22% open · ⏱️ 18.02.2026):

git clone https://github.com/prometheus/client_python

- [PyPi](https://pypi.org/project/prometheus_client) (📥 130M / month · 📦 3K · ⏱️ 14.01.2026):

pip install prometheus_client

- [Conda](https://anaconda.org/conda-forge/prometheus_client) (📥 24M · ⏱️ 15.01.2026):

conda install -c conda-forge prometheus_client

Elasticsearch DSL (🥈35 · ⭐ 3.9K · 💤) - High level Python client for Elasticsearch. Apache-2

- [GitHub](https://github.com/elastic/elasticsearch-dsl-py) (👨‍💻 140 · 🔀 800 · 📥 310 · 📦 12K · 📋 1.3K - 3% open · ⏱️ 18.04.2025):

git clone https://github.com/elastic/elasticsearch-dsl-py

- [PyPi](https://pypi.org/project/elasticsearch-dsl) (📥 8.2M / month · 📦 380 · ⏱️ 16.04.2025):

pip install elasticsearch-dsl

- [Conda](https://anaconda.org/anaconda/elasticsearch-dsl) (📥 14K · ⏱️ 22.04.2025):

conda install -c anaconda elasticsearch-dsl

PyPika (🥈35 · ⭐ 2.9K) - PyPika is a python SQL query builder that exposes the full richness.. Apache-2

- [GitHub](https://github.com/kayak/pypika) (👨‍💻 120 · 🔀 320 · 📦 45K · 📋 500 - 46% open · ⏱️ 04.02.2026):

git clone https://github.com/kayak/pypika

- [PyPi](https://pypi.org/project/pypika) (📥 9.2M / month · 📦 230 · ⏱️ 04.02.2026):

pip install pypika

- [Conda](https://anaconda.org/conda-forge/pypika) (📥 97K · ⏱️ 02.02.2026):

conda install -c conda-forge pypika

Motor (🥈35 · ⭐ 2.5K) - Motor - the async Python driver for MongoDB and Tornado or asyncio. Apache-2

- [GitHub](https://github.com/mongodb/motor) (👨‍💻 65 · 🔀 210 · 📥 120 · 📦 130K · ⏱️ 17.02.2026):

git clone https://github.com/mongodb/motor

- [PyPi](https://pypi.org/project/motor) (📥 8.1M / month · 📦 750 · ⏱️ 14.05.2025):

pip install motor

- [Conda](https://anaconda.org/conda-forge/motor) (📥 130K · ⏱️ 15.05.2025):

conda install -c conda-forge motor

Cassandra Driver (🥈35 · ⭐ 1.4K) - Python Driver for Apache Cassandra. Apache-2

- [GitHub](https://github.com/apache/cassandra-python-driver) (👨‍💻 210 · 🔀 560 · 📦 10K · ⏱️ 24.02.2026):

git clone https://github.com/datastax/python-driver

- [PyPi](https://pypi.org/project/cassandra-driver) (📥 5.7M / month · 📦 260 · ⏱️ 22.10.2025):

pip install cassandra-driver

- [Conda](https://anaconda.org/conda-forge/cassandra-driver) (📥 540K · ⏱️ 22.10.2025):

conda install -c conda-forge cassandra-driver

libcloud (🥉34 · ⭐ 2.1K) - Apache Libcloud is a Python library that hides differences between.. Apache-2

- [GitHub](https://github.com/apache/libcloud) (👨‍💻 490 · 🔀 930 · 📋 230 - 41% open · ⏱️ 18.02.2026):

git clone https://github.com/apache/libcloud

- [PyPi](https://pypi.org/project/apache-libcloud) (📥 490K / month · 📦 190 · ⏱️ 09.02.2026):

pip install apache-libcloud

minio (🥉33 · ⭐ 1K) - MinIO Client SDK for Python. Apache-2

- [GitHub](https://github.com/minio/minio-py) (👨‍💻 140 · 🔀 360 · 📦 15K · 📋 610 - 0% open · ⏱️ 07.12.2025):

git clone https://github.com/minio/minio-py

- [PyPi](https://pypi.org/project/minio) (📥 8.1M / month · 📦 820 · ⏱️ 27.11.2025):

pip install minio

- [Conda](https://anaconda.org/conda-forge/minio) (📥 320K · ⏱️ 27.11.2025):

conda install -c conda-forge minio

cx-Oracle (🥉32 · ⭐ 900 · 💤) - Obsolete Python interface to Oracle Database, now superseded by.. BSD-3

- [GitHub](https://github.com/oracle/python-cx_Oracle) (👨‍💻 17 · 🔀 360 · 📦 9.1K · 📋 650 - 3% open · ⏱️ 26.05.2025):

git clone https://github.com/oracle/python-cx_Oracle

- [PyPi](https://pypi.org/project/cx-Oracle) (📥 5.2M / month · 📦 430 · ⏱️ 20.07.2023):

pip install cx-Oracle

- [Conda](https://anaconda.org/conda-forge/cx_oracle) (📥 1M · ⏱️ 15.01.2026):

conda install -c conda-forge cx_oracle

pandas-gbq (🥉32 · ⭐ 490) - Google BigQuery connector for pandas. BSD-3

- [GitHub](https://github.com/googleapis/python-bigquery-pandas) (👨‍💻 57 · 🔀 130 · 📥 590 · 📋 400 - 0% open · ⏱️ 20.02.2026):

git clone https://github.com/googleapis/python-bigquery-pandas

- [PyPi](https://pypi.org/project/pandas-gbq) (📥 31M / month · 📦 270 · ⏱️ 05.01.2026):

pip install pandas-gbq

- [Conda](https://anaconda.org/conda-forge/pandas-gbq) (📥 2.3M · ⏱️ 01.05.2025):

conda install -c conda-forge pandas-gbq

dataset (🥉31 · ⭐ 4.9K · 💤) - Easy-to-use data handling for SQL data stores with support for.. MIT

- [GitHub](https://github.com/pudo/dataset) (👨‍💻 79 · 🔀 300 · 📦 5.1K · 📋 300 - 13% open · ⏱️ 05.02.2025):

git clone https://github.com/pudo/dataset

- [PyPi](https://pypi.org/project/dataset) (📥 1.4M / month · 📦 130 · ⏱️ 12.07.2023):

pip install dataset

- [Conda](https://anaconda.org/conda-forge/dataset) (📥 18K · ⏱️ 17.09.2025):

conda install -c conda-forge dataset

Pony (🥉31 · ⭐ 3.8K · 💤) - Pony Object Relational Mapper. Apache-2

- [GitHub](https://github.com/ponyorm/pony) (👨‍💻 33 · 🔀 250 · 📥 230 · 📦 4.6K · 📋 670 - 49% open · ⏱️ 03.07.2025):

git clone https://github.com/ponyorm/pony

- [PyPi](https://pypi.org/project/pony) (📥 170K / month · 📦 170 · ⏱️ 27.08.2024):

pip install pony

- [Conda](https://anaconda.org/conda-forge/pony) (📥 200K · ⏱️ 22.04.2025):

conda install -c conda-forge pony

PynamoDB (🥉31 · ⭐ 2.6K) - A pythonic interface to Amazons DynamoDB. MIT

- [GitHub](https://github.com/pynamodb/PynamoDB) (👨‍💻 110 · 🔀 430 · 📦 2K · 📋 700 - 45% open · ⏱️ 06.01.2026):

git clone https://github.com/pynamodb/PynamoDB

- [PyPi](https://pypi.org/project/pynamodb) (📥 4.5M / month · 📦 86 · ⏱️ 02.06.2025):

pip install pynamodb

- [Conda](https://anaconda.org/conda-forge/pynamodb) (📥 3M · ⏱️ 02.06.2025):

conda install -c conda-forge pynamodb

pygsheets (🥉31 · ⭐ 1.5K · 💤) - Google Sheets Python API v4. MIT

- [GitHub](https://github.com/nithinmurali/pygsheets) (👨‍💻 97 · 🔀 220 · 📦 3.1K · 📋 410 - 16% open · ⏱️ 10.06.2025):

git clone https://github.com/nithinmurali/pygsheets

- [PyPi](https://pypi.org/project/pygsheets) (📥 2.4M / month · 📦 77 · ⏱️ 30.11.2022):

pip install pygsheets

pysolr (🥉31 · ⭐ 700) - Pysolr Python Solr client. BSD-3

- [GitHub](https://github.com/django-haystack/pysolr) (👨‍💻 74 · 🔀 340 · 📦 3.9K · 📋 170 - 19% open · ⏱️ 21.02.2026):

git clone https://github.com/django-haystack/pysolr

- [PyPi](https://pypi.org/project/pysolr) (📥 320K / month · 📦 87 · ⏱️ 18.11.2025):

pip install pysolr

- [Conda](https://anaconda.org/conda-forge/pysolr) (📥 75K · ⏱️ 18.11.2025):

conda install -c conda-forge pysolr

Records (🥉30 · ⭐ 7.2K) - SQL for Humans. ISC

- [GitHub](https://github.com/kennethreitz/records) (👨‍💻 52 · 🔀 570 · 📦 1.3K · 📋 130 - 31% open · ⏱️ 09.02.2026):

git clone https://github.com/kennethreitz/records

- [PyPi](https://pypi.org/project/records) (📥 350K / month · 📦 47 · ⏱️ 29.03.2024):

pip install records

- [Conda](https://anaconda.org/conda-forge/records) (📥 72K · ⏱️ 22.04.2025):

conda install -c conda-forge records

piccolos (🥉30 · ⭐ 1.9K) - A fast, user friendly ORM and query builder which supports asyncio. MIT

- [GitHub](https://github.com/piccolo-orm/piccolo) (👨‍💻 53 · 🔀 98 · 📦 520 · 📋 550 - 11% open · ⏱️ 25.02.2026):

git clone https://github.com/piccolo-orm/piccolo

- [PyPi](https://pypi.org/project/piccolo) (📥 200K / month · 📦 17 · ⏱️ 11.02.2026):

pip install piccolo

neo4j-driver (🥉30 · ⭐ 1K) - Neo4j Bolt driver for Python. Apache-2

- [GitHub](https://github.com/neo4j/neo4j-python-driver) (👨‍💻 44 · 🔀 200 · 📋 260 - 0% open · ⏱️ 10.02.2026):

git clone https://github.com/neo4j/neo4j-python-driver

- [PyPi](https://pypi.org/project/neo4j-driver) (📥 140K / month · 📦 63 · ⏱️ 12.01.2026):

pip install neo4j-driver

- [Conda](https://anaconda.org/conda-forge/neo4j-python-driver) (📥 400K · ⏱️ 13.01.2026):

conda install -c conda-forge neo4j-python-driver

ODMantic (🥉29 · ⭐ 1.2K) - Sync and Async ODM (Object Document Mapper) for MongoDB based on python.. ISC

- [GitHub](https://github.com/art049/odmantic) (👨‍💻 23 · 🔀 92 · 📦 3.6K · 📋 200 - 55% open · ⏱️ 25.01.2026):

git clone https://github.com/art049/odmantic

- [PyPi](https://pypi.org/project/odmantic) (📥 86K / month · 📦 24 · ⏱️ 24.01.2026):

pip install odmantic

HappyBase (🥉29 · ⭐ 610) - [UNMAINTAINED] A developer-friendly Python library to interact with.. MIT

- [GitHub](https://github.com/python-happybase/happybase) (👨‍💻 22 · 🔀 160 · 📦 1K · 📋 220 - 15% open · ⏱️ 23.02.2026):

git clone https://github.com/python-happybase/happybase

- [PyPi](https://pypi.org/project/happybase) (📥 62K / month · 📦 44 · ⏱️ 26.09.2025):

pip install happybase

- [Conda](https://anaconda.org/conda-forge/happybase) (📥 270K · ⏱️ 22.04.2025):

conda install -c conda-forge happybase

umongo (🥉28 · ⭐ 450) - sync/async MongoDB ODM, yes. MIT

- [GitHub](https://github.com/Scille/umongo) (👨‍💻 19 · 🔀 66 · 📦 26K · 📋 210 - 23% open · ⏱️ 02.12.2025):

git clone https://github.com/Scille/umongo

- [PyPi](https://pypi.org/project/umongo) (📥 41K / month · 📦 9 · ⏱️ 06.10.2025):

pip install umongo

- [Conda](https://anaconda.org/conda-forge/umongo) (📥 13K · ⏱️ 22.04.2025):

conda install -c conda-forge umongo

prisma (🥉25 · ⭐ 2.1K · 💤) - Prisma Client Python is an auto-generated and fully type-safe.. Apache-2

- [GitHub](https://github.com/RobertCraigie/prisma-client-py) (👨‍💻 31 · 🔀 88 · 📋 440 - 53% open · ⏱️ 23.03.2025):

git clone https://github.com/RobertCraigie/prisma-client-py

- [PyPi](https://pypi.org/project/prisma) (📥 750K / month · 📦 24 · ⏱️ 16.08.2024):

pip install prisma

PugSQL (🥉23 · ⭐ 770) - A HugSQL-inspired database library for Python. Apache-2

- [GitHub](https://github.com/mcfunley/pugsql) (👨‍💻 14 · 🔀 28 · 📥 41 · 📦 84 · 📋 54 - 48% open · ⏱️ 04.12.2025):

git clone https://github.com/mcfunley/pugsql

- [PyPi](https://pypi.org/project/pugsql) (📥 23K / month · 📦 3 · ⏱️ 04.12.2025):

pip install pugsql

psycopg3 (🥉19 · ⭐ 2.3K) - New generation PostgreSQL database adapter for the Python.. ❗️LGPL-3.0

- [GitHub](https://github.com/psycopg/psycopg) (👨‍💻 93 · 🔀 220 · 📋 670 - 6% open · ⏱️ 18.02.2026):

git clone https://github.com/psycopg/psycopg

Show 20 hidden projects...

- psycopg2 (🥈39 · ⭐ 3.6K) - PostgreSQL database adapter for the Python.. ❗️BSD-3-Clause-Attribution - pyodbc (🥈35 · ⭐ 3.1K) - Python ODBC bridge. ❗️MIT-0 - SQLAlchemy-Utils (🥉34 · ⭐ 1.3K) - Various utility functions and datatypes for SQLAlchemy. ❗Unlicensed - influxdb (🥉30 · ⭐ 1.7K · 💀) - Python client for InfluxDB. MIT - redis-py-cluster (🥉30 · ⭐ 1.1K · 💀) - Python cluster client for the official redis cluster... MIT - google-cloud-bigtable (🥉30 · ⭐ 74) - Google Cloud Bigtable API client library. Apache-2 - Databases (🥉29 · ⭐ 4K · 💀) - Async database support for Python. BSD-3 - gino (🥉29 · ⭐ 2.8K · 💀) - GINO Is Not ORM - a Python asyncio ORM on SQLAlchemy core. BSD-3 - mongo-connector (🥉28 · ⭐ 1.9K · 💀) - MongoDB data stream pipeline tools by YouGov (adopted.. Apache-2 - pyhdb (🥉24 · ⭐ 320 · 💀) - SAP HANA Connector in pure Python. Apache-2 - filedepot (🥉24 · ⭐ 160 · 💀) - Toolkit for storing files and attachments in web applications. MIT - cloudant (🥉24 · ⭐ 160 · 💀) - A Python library for Cloudant and CouchDB. Apache-2 - aioprometheus (🥉22 · ⭐ 190 · 💀) - A Prometheus Python client library for asyncio-based.. MIT - py2neo (🥉22 · ⭐ 31 · 💀) - EOL! Py2neo is a comprehensive Neo4j driver library and toolkit for.. Apache-2 - Queries (🥉21 · ⭐ 260 · 💀) - PostgreSQL database access simplified. BSD-3 - db.py (🥉20 · ⭐ 1.2K · 💀) - db.py is an easier way to interact with your databases. BSD-2 - gsheets-db-api (🥉20 · ⭐ 220 · 💀) - A Python DB-API and SQLAlchemy dialect to Google Spreasheets. MIT - PyMODM (🥉19 · ⭐ 350 · 💀) - A Pythonic, object-oriented interface for working with MongoDB. Apache-2 - lazydata (🥉16 · ⭐ 620 · 💀) - Lazydata: Scalable data dependencies for Python projects. Apache-2 - SuperSQLite (🥉15 · ⭐ 720 · 💀) - A supercharged SQLite library for Python. MIT

Data Loading & Extraction

Libraries for loading, collecting, and extracting data from a variety of data sources and formats.

Datasets (🥇45 · ⭐ 21K) - The largest hub of ready-to-use datasets for AI models with fast,.. Apache-2

- [GitHub](https://github.com/huggingface/datasets) (👨‍💻 650 · 🔀 3.1K · 📦 120K · 📋 3.4K - 30% open · ⏱️ 25.02.2026):

git clone https://github.com/huggingface/datasets

- [PyPi](https://pypi.org/project/datasets) (📥 59M / month · 📦 5K · ⏱️ 25.02.2026):

pip install datasets

- [Conda](https://anaconda.org/conda-forge/datasets) (📥 2.7M · ⏱️ 22.01.2026):

conda install -c conda-forge datasets

Faker (🥇44 · ⭐ 19K) - Faker is a Python package that generates fake data for you. MIT

- [GitHub](https://github.com/joke2k/faker) (👨‍💻 650 · 🔀 2K · 📦 290K · 📋 830 - 2% open · ⏱️ 23.02.2026):

git clone https://github.com/joke2k/faker

- [PyPi](https://pypi.org/project/Faker) (📥 54M / month · 📦 3K · ⏱️ 23.02.2026):

pip install Faker

- [Conda](https://anaconda.org/conda-forge/faker) (📥 1.7M · ⏱️ 25.02.2026):

conda install -c conda-forge faker

xmltodict (🥇37 · ⭐ 5.7K) - Python module that makes working with XML feel like you are working.. MIT

- [GitHub](https://github.com/martinblech/xmltodict) (👨‍💻 57 · 🔀 470 · 📥 58 · 📦 85K · 📋 260 - 0% open · ⏱️ 22.02.2026):

git clone https://github.com/martinblech/xmltodict

- [PyPi](https://pypi.org/project/xmltodict) (📥 100M / month · 📦 3.9K · ⏱️ 22.02.2026):

pip install xmltodict

- [Conda](https://anaconda.org/conda-forge/xmltodict) (📥 6.3M · ⏱️ 22.02.2026):

conda install -c conda-forge xmltodict

Tablib (🥇37 · ⭐ 4.8K) - Python Module for Tabular Datasets in XLS, CSV, JSON, YAML, &c. MIT

- [GitHub](https://github.com/jazzband/tablib) (👨‍💻 130 · 🔀 590 · 📦 130K · 📋 270 - 12% open · ⏱️ 15.10.2025):

git clone https://github.com/jazzband/tablib

- [PyPi](https://pypi.org/project/tablib) (📥 4M / month · 📦 210 · ⏱️ 15.10.2025):

pip install tablib

- [Conda](https://anaconda.org/conda-forge/tablib) (📥 250K · ⏱️ 15.10.2025):

conda install -c conda-forge tablib

xlwings (🥇37 · ⭐ 3.3K) - xlwings is a Python library that makes it easy to call Python from.. BSD-3

- [GitHub](https://github.com/xlwings/xlwings) (👨‍💻 66 · 🔀 520 · 📥 13K · 📦 34K · 📋 2K - 20% open · ⏱️ 26.01.2026):

git clone https://github.com/xlwings/xlwings

- [PyPi](https://pypi.org/project/xlwings) (📥 600K / month · 📦 250 · ⏱️ 21.01.2026):

pip install xlwings

- [Conda](https://anaconda.org/conda-forge/xlwings) (📥 1.7M · ⏱️ 23.01.2026):

conda install -c conda-forge xlwings

smart-open (🥈35 · ⭐ 3.4K) - Utils for streaming large files (S3, HDFS, gzip, bz2...). MIT

- [GitHub](https://github.com/piskvorky/smart_open) (👨‍💻 130 · 🔀 390 · 📥 72 · 📋 420 - 3% open · ⏱️ 23.02.2026):

git clone https://github.com/RaRe-Technologies/smart_open

- [PyPi](https://pypi.org/project/smart-open) (📥 62M / month · 📦 670 · ⏱️ 23.02.2026):

pip install smart-open

- [Conda](https://anaconda.org/conda-forge/smart_open) (📥 4.1M · ⏱️ 23.02.2026):

conda install -c conda-forge smart_open

python-magic (🥈34 · ⭐ 2.9K) - A python wrapper for libmagic. MIT

- [GitHub](https://github.com/ahupp/python-magic) (👨‍💻 65 · 🔀 300 · 📦 84K · 📋 230 - 11% open · ⏱️ 02.12.2025):

git clone https://github.com/ahupp/python-magic

- [PyPi](https://pypi.org/project/python-magic) (📥 23M / month · 📦 1.5K · ⏱️ 07.06.2022):

pip install python-magic

- [Conda](https://anaconda.org/conda-forge/python-magic) (📥 690K · ⏱️ 22.04.2025):

conda install -c conda-forge python-magic

csvkit (🥈33 · ⭐ 6.4K) - A suite of utilities for converting to and working with CSV, the king of.. MIT

- [GitHub](https://github.com/wireservice/csvkit) (👨‍💻 110 · 🔀 680 · 📦 2K · 📋 950 - 3% open · ⏱️ 10.02.2026):

git clone https://github.com/wireservice/csvkit

- [PyPi](https://pypi.org/project/csvkit) (📥 350K / month · 📦 49 · ⏱️ 15.12.2025):

pip install csvkit

- [Conda](https://anaconda.org/conda-forge/csvkit) (📥 250K · ⏱️ 15.12.2025):

conda install -c conda-forge csvkit

gdown (🥈33 · ⭐ 5.1K) - Google Drive Public File Downloader when Curl/Wget Fails. MIT

- [GitHub](https://github.com/wkentaro/gdown) (👨‍💻 25 · 🔀 410 · 📦 59K · 📋 200 - 31% open · ⏱️ 11.01.2026):

git clone https://github.com/wkentaro/gdown

- [PyPi](https://pypi.org/project/gdown) (📥 4M / month · 📦 1.3K · ⏱️ 11.01.2026):

pip install gdown

- [Conda](https://anaconda.org/conda-forge/gdown) (📥 490K · ⏱️ 11.01.2026):

conda install -c conda-forge gdown

xlrd (🥈33 · ⭐ 2.2K · 💤) - Please use openpyxl where you can... BSD-3

- [GitHub](https://github.com/python-excel/xlrd) (👨‍💻 52 · 🔀 440 · 📦 250K · ⏱️ 14.06.2025):

git clone https://github.com/python-excel/xlrd

- [PyPi](https://pypi.org/project/xlrd) (📥 51M / month · 📦 3.5K · ⏱️ 14.06.2025):

pip install xlrd

- [Conda](https://anaconda.org/conda-forge/xlrd) (📥 5M · ⏱️ 26.08.2025):

conda install -c conda-forge xlrd

pandas-datareader (🥈32 · ⭐ 3.2K · 💤) - Extract data from a wide range of Internet sources.. BSD-3

- [GitHub](https://github.com/pydata/pandas-datareader) (👨‍💻 92 · 🔀 680 · 📦 31K · 📋 560 - 26% open · ⏱️ 03.04.2025):

git clone https://github.com/pydata/pandas-datareader

- [PyPi](https://pypi.org/project/pandas-datareader) (📥 620K / month · 📦 270 · ⏱️ 13.07.2021):

pip install pandas-datareader

- [Conda](https://anaconda.org/conda-forge/pandas-datareader) (📥 580K · ⏱️ 22.04.2025):

conda install -c conda-forge pandas-datareader

Intake (🥉31 · ⭐ 1.1K) - Intake is a lightweight package for finding, investigating, loading and.. BSD-2

- [GitHub](https://github.com/intake/intake) (👨‍💻 94 · 🔀 150 · 📦 3.6K · 📋 400 - 28% open · ⏱️ 10.02.2026):

git clone https://github.com/intake/intake

- [PyPi](https://pypi.org/project/intake) (📥 500K / month · 📦 180 · ⏱️ 14.01.2025):

pip install intake

- [Conda](https://anaconda.org/conda-forge/intake) (📥 840K · ⏱️ 22.04.2025):

conda install -c conda-forge intake

camelot (🥉30 · ⭐ 3.6K) - A Python library to extract tabular data from PDFs. MIT

- [GitHub](https://github.com/camelot-dev/camelot) (👨‍💻 74 · 🔀 500 · 📥 490 · 📦 3.6K · 📋 390 - 57% open · ⏱️ 10.01.2026):

git clone https://github.com/camelot-dev/camelot

- [PyPi](https://pypi.org/project/camelot) (📥 5.9K / month · 📦 6 · ⏱️ 15.12.2021):

pip install camelot

Singer (🥉28 · ⭐ 1.3K) - Standard for moving data between databases, web APIs, files,.. ❗️AGPL-3.0

- [GitHub](https://github.com/singer-io/getting-started) (👨‍💻 32 · 🔀 150 · 📋 48 - 60% open · ⏱️ 08.08.2025):

git clone https://github.com/singer-io/getting-started

- [PyPi](https://pypi.org/project/singer-python) (📥 5.6M / month · 📦 300 · ⏱️ 10.02.2026):

pip install singer-python

textract (🥉27 · ⭐ 4.5K) - extract text from any document. no muss. no fuss. MIT

- [GitHub](https://github.com/deanmalmgren/textract) (👨‍💻 46 · 🔀 630 · 📋 280 - 50% open · ⏱️ 04.02.2026):

git clone https://github.com/deanmalmgren/textract

- [PyPi](https://pypi.org/project/textract) (📥 360K / month · 📦 63 · ⏱️ 10.03.2022):

pip install textract

- [Conda](https://anaconda.org/conda-forge/textract) (📥 110K · ⏱️ 22.04.2025):

conda install -c conda-forge textract

img2dataset (🥉27 · ⭐ 4.4K) - Easily turn large sets of image urls to an image dataset. Can.. MIT

- [GitHub](https://github.com/rom1504/img2dataset) (👨‍💻 36 · 🔀 370 · 📥 2.7K · 📦 280 · 📋 300 - 47% open · ⏱️ 16.08.2025):

git clone https://github.com/rom1504/img2dataset

- [PyPi](https://pypi.org/project/img2dataset) (📥 53K / month · 📦 6 · ⏱️ 09.08.2025):

pip install img2dataset

pyexcel-xlsx (🥉24 · ⭐ 120 · 💤) - A wrapper library to read, manipulate and write data in xlsx.. BSD-3

- [GitHub](https://github.com/pyexcel/pyexcel-xlsx) (👨‍💻 6 · 🔀 33 · 📥 92 · 📦 3.2K · 📋 43 - 20% open · ⏱️ 03.05.2025):

git clone https://github.com/pyexcel/pyexcel-xlsx

- [PyPi](https://pypi.org/project/pyexcel-xlsx) (📥 1.2M / month · 📦 75 · ⏱️ 05.03.2025):

pip install pyexcel-xlsx

- [Conda](https://anaconda.org/conda-forge/pyexcel-xlsx) (📥 46K · ⏱️ 22.04.2025):

conda install -c conda-forge pyexcel-xlsx

rows (🥉23 · ⭐ 880) - A common, beautiful interface to tabular data, no matter the format. ❗️LGPL-3.0

- [GitHub](https://github.com/turicas/rows) (👨‍💻 32 · 🔀 140 · 📥 45 · 📦 180 · 📋 320 - 52% open · ⏱️ 05.02.2026):

git clone https://github.com/turicas/rows

- [PyPi](https://pypi.org/project/rows) (📥 750 / month · 📦 6 · ⏱️ 15.12.2021):

pip install rows

Upgini (🥉20 · ⭐ 350) - Data search & enrichment library for Machine Learning Easily find and add.. BSD-3

- [GitHub](https://github.com/upgini/upgini) (👨‍💻 14 · 🔀 26 · 📦 11 · ⏱️ 07.02.2026):

git clone https://github.com/upgini/upgini

- [PyPi](https://pypi.org/project/upgini) (📥 8.9K / month · ⏱️ 26.12.2025):

pip install upgini

csvs-to-sqlite (🥉15 · ⭐ 930 · 💤) - Convert CSV files into a SQLite database. Apache-2

- [GitHub](https://github.com/simonw/csvs-to-sqlite) (👨‍💻 8 · 🔀 70 · 📋 74 - 55% open · ⏱️ 10.04.2025):

git clone https://github.com/simonw/csvs-to-sqlite

- [PyPi](https://pypi.org/project/csvs-to-sqlite) (📥 620 / month · 📦 2 · ⏱️ 10.04.2025):

pip install csvs-to-sqlite

Show 10 hidden projects...

- SDV (🥈33 · ⭐ 3.4K) - Synthetic data generation for tabular data. ❗Unlicensed - PDFMiner (🥉30 · ⭐ 5.3K · 💀) - Python PDF Parser (Not actively maintained). Check out pdfminer.six. MIT - snorkel (🥉29 · ⭐ 5.9K · 💀) - A system for quickly generating training data with weak.. Apache-2 - borb (🥉27 · ⭐ 3.6K) - borb is a library for reading, creating and manipulating PDF files.. ❗Unlicensed - tabulator-py (🥉26 · ⭐ 240 · 💀) - Python library for reading and writing tabular data via streams. MIT - messytables (🥉24 · ⭐ 390 · 💀) - Tools for parsing messy tabular data. This is now superseded by.. MIT - excalibur (🥉23 · ⭐ 1.8K · 💀) - A web interface to extract tabular data from PDFs. MIT - deepdish (🥉23 · ⭐ 270 · 💀) - Flexible HDF5 saving/loading and other data science tools from the.. BSD-3 - datatest (🥉22 · ⭐ 300 · 💀) - Tools for test driven data-wrangling and data validation. Apache-2 - Squirrel (🥉12 · ⭐ 280 · 💀) - A Python library that enables ML teams to share, load, and.. Apache-2

Data Pipelines & Streaming

Libraries for data batch- and stream-processing, workflow automation, job scheduling, and other data pipeline tasks.

Airflow (🥇49 · ⭐ 45K) - Platform to programmatically author, schedule, and monitor workflows. Apache-2

- [GitHub](https://github.com/apache/airflow) (👨‍💻 4.2K · 🔀 17K · 📥 630K · 📦 19K · 📋 14K - 12% open · ⏱️ 26.02.2026):

git clone https://github.com/apache/airflow

- [PyPi](https://pypi.org/project/apache-airflow) (📥 18M / month · 📦 780 · ⏱️ 16.02.2026):

pip install apache-airflow

- [Conda](https://anaconda.org/conda-forge/airflow) (📥 1.9M · ⏱️ 05.02.2026):

conda install -c conda-forge airflow

- [Docker Hub](https://hub.docker.com/r/apache/airflow) (📥 1.6B · ⭐ 620 · ⏱️ 23.02.2026):

docker pull apache/airflow

Celery (🥇47 · ⭐ 28K) - Asynchronous task queue/job queue based on distributed message passing. BSD-3

- [GitHub](https://github.com/celery/celery) (👨‍💻 1.5K · 🔀 4.9K · 📦 180K · 📋 5.3K - 14% open · ⏱️ 25.02.2026):

git clone https://github.com/celery/celery

- [PyPi](https://pypi.org/project/celery) (📥 41M / month · 📦 2.4K · ⏱️ 04.01.2026):

pip install celery

- [Conda](https://anaconda.org/conda-forge/celery) (📥 2.4M · ⏱️ 04.06.2025):

conda install -c conda-forge celery

Beam (🥇46 · ⭐ 8.5K) - Unified programming model to define and execute data processing.. Apache-2

- [GitHub](https://github.com/apache/beam) (👨‍💻 1.9K · 🔀 4.5K · 📥 380K · 📦 9.5K · 📋 8.3K - 50% open · ⏱️ 26.02.2026):

git clone https://github.com/apache/beam

- [PyPi](https://pypi.org/project/apache-beam) (📥 39M / month · 📦 180 · ⏱️ 22.01.2026):

pip install apache-beam

- [Conda](https://anaconda.org/conda-forge/apache-beam-with-aws) (📥 300K · ⏱️ 25.01.2026):

conda install -c conda-forge apache-beam-with-aws

Prefect (🥇45 · ⭐ 22K · 📈) - Prefect is a workflow orchestration framework for building.. Apache-2

- [GitHub](https://github.com/PrefectHQ/prefect) (👨‍💻 660 · 🔀 2.1K · 📦 8.1K · 📋 6.8K - 15% open · ⏱️ 26.02.2026):

git clone https://github.com/PrefectHQ/prefect

- [PyPi](https://pypi.org/project/prefect) (📥 9.4M / month · 📦 440 · ⏱️ 26.02.2026):

pip install prefect

- [Conda](https://anaconda.org/conda-forge/prefect) (📥 1.1M · ⏱️ 30.01.2026):

conda install -c conda-forge prefect

Dagster (🥇43 · ⭐ 15K) - An orchestration platform for the development, production, and.. Apache-2

- [GitHub](https://github.com/dagster-io/dagster) (👨‍💻 650 · 🔀 2K · 📥 3.5K · 📦 4.6K · 📋 8.7K - 31% open · ⏱️ 26.02.2026):

git clone https://github.com/dagster-io/dagster

- [PyPi](https://pypi.org/project/dagster) (📥 4.8M / month · 📦 320 · ⏱️ 20.02.2026):

pip install dagster

- [Conda](https://anaconda.org/conda-forge/dagster) (📥 2.7M · ⏱️ 21.02.2026):

conda install -c conda-forge dagster

rq (🥈41 · ⭐ 11K) - Simple job queues for Python. BSD-3

- [GitHub](https://github.com/rq/rq) (👨‍💻 350 · 🔀 1.5K · 📦 21K · 📋 1.2K - 19% open · ⏱️ 22.02.2026):

git clone https://github.com/rq/rq

- [PyPi](https://pypi.org/project/rq) (📥 6.4M / month · 📦 330 · ⏱️ 22.02.2026):

pip install rq

- [Conda](https://anaconda.org/conda-forge/rq) (📥 230K · ⏱️ 21.07.2025):

conda install -c conda-forge rq

joblib (🥈41 · ⭐ 4.3K) - Computing with Python functions. BSD-3

- [GitHub](https://github.com/joblib/joblib) (👨‍💻 150 · 🔀 440 · 📥 180 · 📦 720K · 📋 1K - 42% open · ⏱️ 06.02.2026):

git clone https://github.com/joblib/joblib

- [PyPi](https://pypi.org/project/joblib) (📥 160M / month · 📦 9.6K · ⏱️ 15.12.2025):

pip install joblib

- [Conda](https://anaconda.org/conda-forge/joblib) (📥 43M · ⏱️ 15.12.2025):

conda install -c conda-forge joblib

Great Expectations (🥈40 · ⭐ 11K) - Always know what to expect from your data. Apache-2

- [GitHub](https://github.com/great-expectations/great_expectations) (👨‍💻 460 · 🔀 1.7K · 📋 2.1K - 3% open · ⏱️ 25.02.2026):

git clone https://github.com/great-expectations/great_expectations

- [PyPi](https://pypi.org/project/great_expectations) (📥 26M / month · 📦 140 · ⏱️ 13.02.2026):

pip install great_expectations

- [Conda](https://anaconda.org/conda-forge/great-expectations) (📥 1.4M · ⏱️ 14.02.2026):

conda install -c conda-forge great-expectations

luigi (🥈38 · ⭐ 19K) - Luigi is a Python module that helps you build complex pipelines of batch.. Apache-2

- [GitHub](https://github.com/spotify/luigi) (👨‍💻 630 · 🔀 2.4K · 📦 2.8K · 📋 1.1K - 14% open · ⏱️ 25.02.2026):

git clone https://github.com/spotify/luigi

- [PyPi](https://pypi.org/project/luigi) (📥 1.8M / month · 📦 170 · ⏱️ 12.02.2026):

pip install luigi

- [Conda](https://anaconda.org/anaconda/luigi) (📥 22K · 📦 3 · ⏱️ 24.02.2026):

conda install -c anaconda luigi

Kedro (🥈38 · ⭐ 11K) - Kedro is a toolbox for production-ready data science. It uses software.. Apache-2

- [GitHub](https://github.com/kedro-org/kedro) (👨‍💻 270 · 🔀 990 · 📦 3.2K · 📋 2.5K - 6% open · ⏱️ 26.02.2026):

git clone https://github.com/kedro-org/kedro

- [PyPi](https://pypi.org/project/kedro) (📥 660K / month · 📦 150 · ⏱️ 29.01.2026):

pip install kedro

Activeloop (🥈35 · ⭐ 9K) - Database for AI. Store Vectors, Images, Texts, Videos, etc. Use.. Apache-2

- [GitHub](https://github.com/activeloopai/deeplake) (👨‍💻 140 · 🔀 700 · 📥 660 · 📦 3.4K · 📋 480 - 10% open · ⏱️ 16.02.2026):

git clone https://github.com/activeloopai/Hub

- [PyPi](https://pypi.org/project/hub) (📥 12K / month · 📦 4 · ⏱️ 02.02.2023):

pip install hub

zenml (🥈35 · ⭐ 5.2K) - ZenML : One AI Platform from Pipelines to Agents. https://zenml.io. Apache-2

- [GitHub](https://github.com/zenml-io/zenml) (👨‍💻 140 · 🔀 580 · 📦 1.4K · 📋 590 - 19% open · ⏱️ 20.02.2026):

git clone https://github.com/zenml-io/zenml

- [PyPi](https://pypi.org/project/zenml) (📥 71K / month · 📦 8 · ⏱️ 19.02.2026):

pip install zenml

huey (🥈34 · ⭐ 5.9K) - a little task queue for python. MIT

- [GitHub](https://github.com/coleifer/huey) (👨‍💻 71 · 🔀 390 · 📦 2.2K · ⏱️ 04.02.2026):

git clone https://github.com/coleifer/huey

- [PyPi](https://pypi.org/project/huey) (📥 10M / month · 📦 120 · ⏱️ 06.01.2026):

pip install huey

- [Conda](https://anaconda.org/conda-forge/huey) (📥 79K · ⏱️ 06.01.2026):

conda install -c conda-forge huey

arq (🥈32 · ⭐ 2.8K) - Fast job queuing and RPC in python with asyncio and redis. MIT

- [GitHub](https://github.com/python-arq/arq) (👨‍💻 67 · 🔀 200 · 📦 1.1K · 📋 250 - 34% open · ⏱️ 30.01.2026):

git clone https://github.com/samuelcolvin/arq

- [PyPi](https://pypi.org/project/arq) (📥 1M / month · 📦 50 · ⏱️ 02.02.2026):

pip install arq

- [Conda](https://anaconda.org/conda-forge/arq) (📥 22K · ⏱️ 22.04.2025):

conda install -c conda-forge arq

petl (🥈32 · ⭐ 1.3K) - Python Extract Transform and Load Tables of Data. MIT

- [GitHub](https://github.com/petl-developers/petl) (👨‍💻 67 · 🔀 200 · 📦 4.2K · 📋 470 - 18% open · ⏱️ 13.08.2025):

git clone https://github.com/petl-developers/petl

- [PyPi](https://pypi.org/project/petl) (📥 870K / month · 📦 48 · ⏱️ 10.07.2025):

pip install petl

- [Conda](https://anaconda.org/conda-forge/petl) (📥 410K · ⏱️ 11.07.2025):

conda install -c conda-forge petl

mleap (🥈31 · ⭐ 1.5K) - MLeap: Deploy ML Pipelines to Production. Apache-2

- [GitHub](https://github.com/combust/mleap) (👨‍💻 86 · 🔀 320 · 📦 240 · 📋 490 - 23% open · ⏱️ 12.01.2026):

git clone https://github.com/combust/mleap

- [PyPi](https://pypi.org/project/mleap) (📥 2.1M / month · 📦 11 · ⏱️ 12.01.2026):

pip install mleap

- [Conda](https://anaconda.org/conda-forge/mleap) (📥 110K · ⏱️ 13.01.2026):

conda install -c conda-forge mleap

CocoIndex (🥉30 · ⭐ 6.2K) - Data transformation framework for AI. Ultra performant, with.. Apache-2

- [GitHub](https://github.com/cocoindex-io/cocoindex) (👨‍💻 56 · 🔀 460 · 📦 32 · 📋 290 - 21% open · ⏱️ 22.02.2026):

git clone https://github.com/cocoindex-io/cocoindex

- [PyPi](https://pypi.org/project/cocoindex) (📥 52K / month · 📦 5 · ⏱️ 26.02.2026):

pip install cocoindex

PyFunctional (🥉27 · ⭐ 2.5K · 💤) - Python library for creating data pipelines with chain.. MIT

- [GitHub](https://github.com/EntilZha/PyFunctional) (👨‍💻 33 · 🔀 130 · 📦 970 · 📋 140 - 9% open · ⏱️ 13.03.2025):

git clone https://github.com/EntilZha/PyFunctional

- [PyPi](https://pypi.org/project/pyfunctional) (📥 430K / month · 📦 27 · ⏱️ 13.03.2024):

pip install pyfunctional

ploomber (🥉26 · ⭐ 3.6K · 💤) - The fastest way to build data pipelines. Develop iteratively,.. Apache-2

- [GitHub](https://github.com/ploomber/ploomber) (👨‍💻 80 · 🔀 240 · 📋 880 - 12% open · ⏱️ 29.05.2025):

git clone https://github.com/ploomber/ploomber

- [PyPi](https://pypi.org/project/ploomber) (📥 6.1K / month · 📦 13 · ⏱️ 18.09.2024):

pip install ploomber

- [Conda](https://anaconda.org/conda-forge/ploomber) (📥 180K · ⏱️ 22.04.2025):

conda install -c conda-forge ploomber

TaskTiger (🥉25 · ⭐ 1.5K) - Python task queue using Redis. MIT

- [GitHub](https://github.com/closeio/tasktiger) (👨‍💻 34 · 🔀 88 · 📦 33 · 📋 87 - 50% open · ⏱️ 15.01.2026):

git clone https://github.com/closeio/tasktiger

- [PyPi](https://pypi.org/project/tasktiger) (📥 6.2K / month · 📦 2 · ⏱️ 15.01.2026):

pip install tasktiger

dbnd (🥉23 · ⭐ 270 · 💤) - DBND is an agile pipeline framework that helps data engineering teams.. Apache-2

- [GitHub](https://github.com/databand-ai/dbnd) (👨‍💻 93 · 🔀 33 · 📦 42 · 📋 30 - 86% open · ⏱️ 04.03.2025):

git clone https://github.com/databand-ai/dbnd

- [PyPi](https://pypi.org/project/dbnd) (📥 120K / month · 📦 27 · ⏱️ 07.10.2025):

pip install dbnd

flupy (🥉23 · ⭐ 200 · 💤) - Fluent data pipelines for python and your shell. MIT

- [GitHub](https://github.com/olirice/flupy) (👨‍💻 8 · 🔀 15 · 📦 690 · 📋 21 - 19% open · ⏱️ 18.07.2025):

git clone https://github.com/olirice/flupy

- [PyPi](https://pypi.org/project/flupy) (📥 1.3M / month · 📦 4 · ⏱️ 15.07.2025):

pip install flupy

BatchFlow (🥉22 · ⭐ 200) - BatchFlow helps you conveniently work with random or sequential.. Apache-2

- [GitHub](https://github.com/analysiscenter/batchflow) (👨‍💻 39 · 🔀 45 · 📦 15 · 📋 120 - 28% open · ⏱️ 24.02.2026):

git clone https://github.com/analysiscenter/batchflow

- [PyPi](https://pypi.org/project/batchflow) (📥 1K / month · ⏱️ 24.02.2026):

pip install batchflow

pdpipe (🥉21 · ⭐ 720) - Easy pipelines for pandas DataFrames. MIT

- [GitHub](https://github.com/pdpipe/pdpipe) (👨‍💻 13 · 🔀 46 · 📥 11 · 📦 67 · 📋 54 - 29% open · ⏱️ 02.11.2025):

git clone https://github.com/pdpipe/pdpipe

- [PyPi](https://pypi.org/project/pdpipe) (📥 1K / month · 📦 14 · ⏱️ 01.07.2025):

pip install pdpipe

- [Conda](https://anaconda.org/conda-forge/pdpipe) (📥 57K · ⏱️ 02.07.2025):

conda install -c conda-forge pdpipe

kale (🥉20 · ⭐ 670) - Kubeflows superfood for Data Scientists. Apache-2 jupyter

- [GitHub](https://github.com/kubeflow/kale) (👨‍💻 23 · 🔀 150 · 📋 250 - 16% open · ⏱️ 25.02.2026):

git clone https://github.com/kubeflow-kale/kale

- [PyPi](https://pypi.org/project/kubeflow-kale) (📥 300 / month · ⏱️ 19.05.2021):

pip install kubeflow-kale

Botflow (🥉16 · ⭐ 1.2K) - Python Fast Dataflow programming framework for Data pipeline work( Web.. BSD-3

- [GitHub](https://github.com/kkyon/botflow) (👨‍💻 11 · 🔀 100 · 📦 4 · 📋 5 - 60% open · ⏱️ 03.02.2026):

git clone https://github.com/kkyon/botflow

- [PyPi](https://pypi.org/project/botflow) (📥 86 / month · ⏱️ 14.09.2018):

pip install botflow

Show 18 hidden projects...

- dbt (🥈37 · ⭐ 12K) - dbt enables data analysts and engineers to transform their data using.. ❗Unlicensed - mrjob (🥈31 · ⭐ 2.6K · 💀) - Run MapReduce jobs on Hadoop or Amazon Web Services. Apache-2 - faust (🥉29 · ⭐ 6.8K · 💀) - Python Stream Processing. BSD-3 - whylogs (🥉27 · ⭐ 2.8K · 💀) - Open standard for end-to-end data and ML monitoring for any.. Apache-2 - bonobo (🥉25 · ⭐ 1.6K · 💀) - Extract Transform Load for Python 3.5+. Apache-2 - Pypeline (🥉25 · ⭐ 1.6K · 💀) - Concurrent data pipelines in Python . MIT - streamparse (🥉25 · ⭐ 1.5K · 💀) - Run Python in Apache Storm topologies. Pythonic API, CLI.. Apache-2 - pysparkling (🥉24 · ⭐ 270 · 💀) - A pure Python implementation of Apache Sparks RDD and DStream.. MIT - Optimus (🥉23 · ⭐ 1.5K · 💀) - Agile Data Preparation Workflows madeeasy with Pandas,.. Apache-2 spark - dpark (🥉22 · ⭐ 2.7K · 💀) - Python clone of Spark, a MapReduce alike framework in Python. BSD-3 spark - spark-deep-learning (🥉20 · ⭐ 2K · 💀) - Deep Learning Pipelines for Apache Spark. Apache-2 spark - mrq (🥉20 · ⭐ 900 · 💀) - Mr. Queue - A distributed worker task queue in Python using Redis & gevent. MIT - riko (🥉18 · ⭐ 1.6K · 💀) - A Python stream processing engine modeled after Yahoo! Pipes. MIT - Databolt Flow (🥉18 · ⭐ 950 · 💀) - Python library for building highly effective data science.. MIT - Mara Pipelines (🥉17 · ⭐ 2.1K · 💀) - A lightweight opinionated ETL framework, halfway between.. MIT - bodywork-core (🥉16 · ⭐ 440 · 💀) - ML pipeline orchestration and model deployments on.. ❗️AGPL-3.0 - datajob (🥉15 · ⭐ 110 · 💀) - Build and deploy a serverless data pipeline on AWS with no effort. Apache-2 - RasgoQL (🥉12 · ⭐ 270 · 💀) - Write python locally, execute SQL in your data warehouse. ❗️AGPL-3.0

File Formats

PyYAML (🥇40 · ⭐ 2.9K) - Canonical source repository for PyYAML. MIT

- [GitHub](https://github.com/yaml/pyyaml) (👨‍💻 40 · 🔀 560 · 📦 1.8M · 📋 680 - 47% open · ⏱️ 25.09.2025):

git clone https://github.com/yaml/pyyaml

- [PyPi](https://pypi.org/project/pyyaml) (📥 700M / month · 📦 55K · ⏱️ 25.09.2025):

pip install pyyaml

- [Conda](https://anaconda.org/conda-forge/pyyaml) (📥 76M · ⏱️ 04.02.2026):

conda install -c conda-forge pyyaml

XlsxWriter (🥉38 · ⭐ 3.9K) - A Python module for creating Excel XLSX files. BSD-2

- [GitHub](https://github.com/jmcnamara/XlsxWriter) (👨‍💻 58 · 🔀 650 · 📦 110K · 📋 1K - 1% open · ⏱️ 28.01.2026):

git clone https://github.com/jmcnamara/XlsxWriter

- [PyPi](https://pypi.org/project/xlsxwriter) (📥 60M / month · 📦 470 · ⏱️ 16.09.2025):

pip install xlsxwriter

- [Conda](https://anaconda.org/conda-forge/xlsxwriter) (📥 4.5M · ⏱️ 12.10.2025):

conda install -c conda-forge xlsxwriter

jmespath (🥉35 · ⭐ 2.4K) - JMESPath is a query language for JSON. MIT

- [GitHub](https://github.com/jmespath/jmespath.py) (👨‍💻 32 · 🔀 190 · 📋 150 - 39% open · ⏱️ 22.01.2026):

git clone https://github.com/jmespath/jmespath.py

- [PyPi](https://pypi.org/project/jmespath) (📥 470M / month · 📦 2K · ⏱️ 22.01.2026):

pip install jmespath

- [Conda](https://anaconda.org/conda-forge/jmespath) (📥 29M · ⏱️ 23.01.2026):

conda install -c conda-forge jmespath

Code Inspection

deepdiff (🥇36 · ⭐ 2.5K) - DeepDiff: Deep Difference and search of any Python object/data... MIT

- [GitHub](https://github.com/seperman/deepdiff) (👨‍💻 98 · 🔀 260 · 📦 20K · 📋 370 - 27% open · ⏱️ 03.09.2025):

git clone https://github.com/seperman/deepdiff

- [PyPi](https://pypi.org/project/deepdiff) (📥 64M / month · 📦 1.3K · ⏱️ 03.09.2025):

pip install deepdiff

- [Conda](https://anaconda.org/conda-forge/deepdiff) (📥 790K · ⏱️ 04.09.2025):

conda install -c conda-forge deepdiff

typing_inspect (🥉26 · ⭐ 380) - Runtime inspection utilities for Python typing module. MIT

- [GitHub](https://github.com/ilevkivskyi/typing_inspect) (👨‍💻 21 · 🔀 41 · 📋 61 - 39% open · ⏱️ 18.01.2026):

git clone https://github.com/ilevkivskyi/typing_inspect

- [PyPi](https://pypi.org/project/typing_inspect) (📥 80M / month · 📦 720 · ⏱️ 24.05.2023):

pip install typing_inspect

- [Conda](https://anaconda.org/conda-forge/typing_inspect) (📥 3M · ⏱️ 22.04.2025):

conda install -c conda-forge typing_inspect

Show 2 hidden projects...

- importlib-resources (🥈29 · ⭐ 71 · 💤) - Backport of the importlib.resources module. Apache-2 - entrypoints (🥉24 · ⭐ 77 · 💀) - Discover and load entry points from installed packages. MIT

General Utilities

tenacity (🥇42 · ⭐ 8.4K) - Retrying library for Python. Apache-2

- [GitHub](https://github.com/jd/tenacity) (👨‍💻 100 · 🔀 300 · 📦 390K · 📋 400 - 31% open · ⏱️ 26.02.2026):

git clone https://github.com/jd/tenacity

- [PyPi](https://pypi.org/project/tenacity) (📥 250M / month · 📦 6.3K · ⏱️ 07.02.2026):

pip install tenacity

- [Conda](https://anaconda.org/conda-forge/tenacity) (📥 13M · ⏱️ 08.02.2026):

conda install -c conda-forge tenacity

attrs (🥇42 · ⭐ 5.7K) - Python Classes Without Boilerplate. MIT

- [GitHub](https://github.com/python-attrs/attrs) (👨‍💻 180 · 🔀 420 · 📦 1.4M · 📋 790 - 17% open · ⏱️ 23.02.2026):

git clone https://github.com/python-attrs/attrs

- [PyPi](https://pypi.org/project/attrs) (📥 520M / month · 📦 10K · ⏱️ 06.10.2025):

pip install attrs

- [Conda](https://anaconda.org/conda-forge/attrs) (📥 62M · ⏱️ 04.12.2025):

conda install -c conda-forge attrs

more-itertools (🥈40 · ⭐ 4K · 📉) - More routines for operating on iterables, beyond itertools. MIT

- [GitHub](https://github.com/more-itertools/more-itertools) (👨‍💻 140 · 🔀 310 · 📥 3.6K · 📦 290K · 📋 430 - 7% open · ⏱️ 10.02.2026):

git clone https://github.com/more-itertools/more-itertools

- [PyPi](https://pypi.org/project/more-itertools) (📥 220M / month · 📦 4.5K · ⏱️ 02.09.2025):

pip install more-itertools

- [Conda](https://anaconda.org/conda-forge/more-itertools) (📥 31M · ⏱️ 30.11.2025):

conda install -c conda-forge more-itertools

python-dependency-injector (🥈35 · ⭐ 4.8K) - Dependency injection framework for Python. BSD-3

- [GitHub](https://github.com/ets-labs/python-dependency-injector) (👨‍💻 41 · 🔀 340 · 📦 5.4K · 📋 650 - 32% open · ⏱️ 04.12.2025):

git clone https://github.com/ets-labs/python-dependency-injector

- [PyPi](https://pypi.org/project/dependency-injector) (📥 6.1M / month · 📦 340 · ⏱️ 04.12.2025):

pip install dependency-injector

- [Conda](https://anaconda.org/conda-forge/dependency_injector) (📥 120K · ⏱️ 04.12.2025):

conda install -c conda-forge dependency_injector

boltons (🥈33 · ⭐ 6.9K) - Like builtins, but boltons. 250+ constructs, recipes, and snippets.. BSD-3

- [GitHub](https://github.com/mahmoud/boltons) (👨‍💻 97 · 🔀 380 · 📥 50 · 📦 11K · 📋 190 - 36% open · ⏱️ 28.01.2026):

git clone https://github.com/mahmoud/boltons

- [PyPi](https://pypi.org/project/boltons) (📥 16M / month · 📦 380 · ⏱️ 03.02.2025):

pip install boltons

- [Conda](https://anaconda.org/conda-forge/boltons) (📥 13M · ⏱️ 11.06.2025):

conda install -c conda-forge boltons

returns (🥉32 · ⭐ 4.2K) - Make your functions return something meaningful, typed, and safe!. BSD-2

- [GitHub](https://github.com/dry-python/returns) (👨‍💻 67 · 🔀 140 · 📦 960 · 📋 450 - 18% open · ⏱️ 24.02.2026):

git clone https://github.com/dry-python/returns

- [PyPi](https://pypi.org/project/returns) (📥 820K / month · 📦 210 · ⏱️ 24.07.2025):

pip install returns

- [Conda](https://anaconda.org/conda-forge/returns) (📥 53K · ⏱️ 29.07.2025):

conda install -c conda-forge returns

funcy (🥉31 · ⭐ 3.5K) - A fancy and practical functional tools. BSD-3

- [GitHub](https://github.com/Suor/funcy) (👨‍💻 34 · 🔀 150 · 📦 15K · 📋 90 - 14% open · ⏱️ 14.02.2026):

git clone https://github.com/Suor/funcy

- [PyPi](https://pypi.org/project/funcy) (📥 4.9M / month · 📦 390 · ⏱️ 28.03.2023):

pip install funcy

- [Conda](https://anaconda.org/conda-forge/funcy) (📥 810K · ⏱️ 22.04.2025):

conda install -c conda-forge funcy

natsort (🥉30 · ⭐ 1K) - Simple yet flexible natural sorting in Python. MIT

- [GitHub](https://github.com/SethMMorton/natsort) (👨‍💻 24 · 🔀 58 · 📦 46K · 📋 100 - 3% open · ⏱️ 01.08.2025):

git clone https://github.com/SethMMorton/natsort

- [PyPi](https://pypi.org/project/natsort) (📥 18M / month · 📦 1.5K · ⏱️ 20.06.2023):

pip install natsort

- [Conda](https://anaconda.org/conda-forge/natsort) (📥 2.5M · ⏱️ 12.02.2026):

conda install -c conda-forge natsort

ratelimit (🥉26 · ⭐ 830 · 💤) - API Rate Limit Decorator. MIT

- [GitHub](https://github.com/tomasbasham/ratelimit) (👨‍💻 9 · 🔀 160 · 📦 6K · 📋 48 - 60% open · ⏱️ 31.05.2025):

git clone https://github.com/tomasbasham/ratelimit

- [PyPi](https://pypi.org/project/ratelimit) (📥 12M / month · 📦 360 · ⏱️ 17.12.2018):

pip install ratelimit

- [Conda](https://anaconda.org/conda-forge/ratelimit) (📥 26K · ⏱️ 22.04.2025):

conda install -c conda-forge ratelimit

ubelt (🥉25 · ⭐ 740) - A Python utility library with a stdlib like feel and extra batteries... Apache-2

- [GitHub](https://github.com/Erotemic/ubelt) (👨‍💻 5 · 🔀 50 · 📥 130 · 📋 25 - 36% open · ⏱️ 20.02.2026):

git clone https://github.com/Erotemic/ubelt

- [PyPi](https://pypi.org/project/ubelt) (📥 66K / month · 📦 130 · ⏱️ 08.02.2026):

pip install ubelt

- [Conda](https://anaconda.org/conda-forge/ubelt) (📥 370K · ⏱️ 09.02.2026):

conda install -c conda-forge ubelt

Show 5 hidden projects...

- toolz (🥈36 · ⭐ 5.1K) - A functional standard library for Python. ❗Unlicensed - retrying (🥉28 · ⭐ 1.9K · 💀) - Retrying is an Apache 2.0 licensed general-purpose retrying.. Apache-2 - pinject (🥉24 · ⭐ 1.3K · 💀) - A pythonic dependency injection library. Apache-2 - CommonRegex (🥉23 · ⭐ 1.6K · 💀) - A collection of common regular expressions bundled with an easy.. MIT - pampy (🥉22 · ⭐ 3.5K · 💀) - Pampy: The Pattern Matching for Python you always dreamed of. MIT

Python Implementations

cpython (🥇51 · ⭐ 72K) - The Python programming language. MIT

- [GitHub](https://github.com/python/cpython) (👨‍💻 3.7K · 🔀 34K · 📦 630K · 📋 77K - 11% open · ⏱️ 26.02.2026):

git clone https://github.com/python/cpython

- [PyPi](https://pypi.org/project/cpython) (📥 22 / month · 📦 21 · ⏱️ 22.07.2020):

pip install cpython

- [Conda](https://anaconda.org/conda-forge/typing) (📥 3.8M · ⏱️ 22.04.2025):

conda install -c conda-forge typing

- [npm](https://www.npmjs.com/package/@buckpkg/python) (📦 6 · ⏱️ 03.08.2017):

npm install @buckpkg/python

micropython (🥈36 · ⭐ 21K) - MicroPython - a lean and efficient Python implementation for.. Python-2.0

- [GitHub](https://github.com/micropython/micropython) (👨‍💻 720 · 🔀 8.7K · 📥 110K · 📦 16 · 📋 6.4K - 28% open · ⏱️ 26.02.2026):

git clone https://github.com/micropython/micropython

- [PyPi](https://pypi.org/project/micropython-_markupbase) (⏱️ 10.10.2016):

pip install micropython-_markupbase

Show 4 hidden projects...

- grumpy (🥈22 · ⭐ 11K · 💀) - Grumpy is a Python to Go source code transcompiler and runtime. Apache-2 - pyston (🥈22 · ⭐ 2.5K · 💀) - (No longer maintained) A faster and highly-compatible.. Apache-2 - stackless (🥉17 · ⭐ 1.1K · 💤) - The Stackless Python programming language. ❗Unlicensed - cl-python (🥉11 · ⭐ 390 · 💀) - An implementation of Python in Common Lisp. ❗Unlicensed

Others

Pygments (🥇43 · ⭐ 2.1K) - Pygments is a generic syntax highlighter written in Python. BSD-2

- [GitHub](https://github.com/pygments/pygments) (👨‍💻 910 · 🔀 760 · 📦 1.1M · 📋 2.1K - 29% open · ⏱️ 22.02.2026):

git clone https://github.com/pygments/pygments

- [PyPi](https://pypi.org/project/pygments) (📥 580M / month · 📦 9.6K · ⏱️ 21.06.2025):

pip install pygments

- [Conda](https://anaconda.org/conda-forge/pygments) (📥 56M · ⏱️ 22.06.2025):

conda install -c conda-forge pygments

pyparsing (🥇42 · ⭐ 2.5K) - Python library for creating PEG parsers. MIT

- [GitHub](https://github.com/pyparsing/pyparsing) (👨‍💻 75 · 🔀 300 · 📥 15K · 📦 1.3M · 📋 380 - 10% open · ⏱️ 22.02.2026):

git clone https://github.com/pyparsing/pyparsing

- [PyPi](https://pypi.org/project/pyparsing) (📥 270M / month · 📦 6.3K · ⏱️ 21.01.2026):

pip install pyparsing

- [Conda](https://anaconda.org/conda-forge/pyparsing) (📥 66M · ⏱️ 21.01.2026):

conda install -c conda-forge pyparsing

cookiecutter (🥇40 · ⭐ 25K) - A cross-platform command-line utility that creates projects from.. BSD-3

- [GitHub](https://github.com/cookiecutter/cookiecutter) (👨‍💻 330 · 🔀 2.2K · 📦 37K · 📋 930 - 29% open · ⏱️ 01.02.2026):

git clone https://github.com/cookiecutter/cookiecutter

- [PyPi](https://pypi.org/project/cookiecutter) (📥 7.9M / month · 📦 1.1K · ⏱️ 21.02.2024):

pip install cookiecutter

- [Conda](https://anaconda.org/conda-forge/cookiecutter) (📥 1.8M · ⏱️ 22.04.2025):

conda install -c conda-forge cookiecutter

wrapt (🥇40 · ⭐ 2.3K) - A Python module for decorators, wrappers and monkey patching. BSD-2

- [GitHub](https://github.com/GrahamDumpleton/wrapt) (👨‍💻 36 · 🔀 240 · 📦 620K · 📋 220 - 20% open · ⏱️ 03.02.2026):

git clone https://github.com/GrahamDumpleton/wrapt

- [PyPi](https://pypi.org/project/wrapt) (📥 300M / month · 📦 3K · ⏱️ 03.02.2026):

pip install wrapt

- [Conda](https://anaconda.org/conda-forge/wrapt) (📥 32M · ⏱️ 03.02.2026):

conda install -c conda-forge wrapt

diagrams (🥈37 · ⭐ 42K) - Diagram as Code for prototyping cloud system architectures. MIT

- [GitHub](https://github.com/mingrammer/diagrams) (👨‍💻 180 · 🔀 2.7K · 📦 2.3K · 📋 600 - 62% open · ⏱️ 07.02.2026):

git clone https://github.com/mingrammer/diagrams

- [PyPi](https://pypi.org/project/diagrams) (📥 5.5M / month · 📦 110 · ⏱️ 22.11.2025):

pip install diagrams

- [Conda](https://anaconda.org/conda-forge/diagrams) (📥 330K · ⏱️ 24.11.2025):

conda install -c conda-forge diagrams

pluggy (🥈37 · ⭐ 1.6K) - A minimalist production ready plugin system. MIT

- [GitHub](https://github.com/pytest-dev/pluggy) (👨‍💻 58 · 🔀 140 · 📦 780K · 📋 200 - 26% open · ⏱️ 25.02.2026):

git clone https://github.com/pytest-dev/pluggy

- [PyPi](https://pypi.org/project/pluggy) (📥 610M / month · 📦 2.6K · ⏱️ 15.05.2025):

pip install pluggy

- [Conda](https://anaconda.org/conda-forge/pluggy) (📥 47M · ⏱️ 05.12.2025):

conda install -c conda-forge pluggy

fastcore (🥈36 · ⭐ 1.1K) - Python supercharged for the fastai library. Apache-2

- [GitHub](https://github.com/AnswerDotAI/fastcore) (👨‍💻 83 · 🔀 290 · 📦 13K · 📋 500 - 4% open · ⏱️ 26.02.2026):

git clone https://github.com/fastai/fastcore

- [PyPi](https://pypi.org/project/fastcore) (📥 8.9M / month · 📦 1.1K · ⏱️ 25.02.2026):

pip install fastcore

- [Conda](https://anaconda.org/conda-forge/fastcore) (📥 230K · ⏱️ 25.02.2026):

conda install -c conda-forge fastcore

Copier (🥈34 · ⭐ 3.2K) - Library and command-line utility for rendering projects templates. MIT

- [GitHub](https://github.com/copier-org/copier) (👨‍💻 120 · 🔀 240 · 📦 1.8K · 📋 640 - 20% open · ⏱️ 24.02.2026):

git clone https://github.com/copier-org/copier

- [PyPi](https://pypi.org/project/copier) (📥 1.2M / month · 📦 300 · ⏱️ 21.02.2026):

pip install copier

py4j (🥈34 · ⭐ 1.3K) - Py4J enables Python programs to dynamically access arbitrary Java objects. BSD-3

- [GitHub](https://github.com/py4j/py4j) (👨‍💻 43 · 🔀 230 · 📦 55K · 📋 440 - 36% open · ⏱️ 11.12.2025):

git clone https://github.com/bartdag/py4j

- [PyPi](https://pypi.org/project/py4j) (📥 97M / month · 📦 340 · ⏱️ 15.01.2025):

pip install py4j

- [Conda](https://anaconda.org/conda-forge/py4j) (📥 13M · ⏱️ 22.04.2025):

conda install -c conda-forge py4j

decorator (🥈34 · ⭐ 900) - Decorators for Humans. BSD-2

- [GitHub](https://github.com/micheles/decorator) (👨‍💻 32 · 🔀 120 · 📦 760K · 📋 110 - 9% open · ⏱️ 12.12.2025):

git clone https://github.com/micheles/decorator

- [PyPi](https://pypi.org/project/decorator) (📥 180M / month · 📦 2.5K · ⏱️ 24.02.2025):

pip install decorator

- [Conda](https://anaconda.org/conda-forge/decorator) (📥 44M · ⏱️ 22.04.2025):

conda install -c conda-forge decorator

Send2Trash (🥉33 · ⭐ 300) - Python library to natively send files to Trash (or Recycle bin) on.. BSD-3

- [GitHub](https://github.com/arsenetar/send2trash) (👨‍💻 20 · 🔀 48 · 📦 320K · 📋 68 - 51% open · ⏱️ 27.01.2026):

git clone https://github.com/arsenetar/send2trash

- [PyPi](https://pypi.org/project/send2trash) (📥 41M / month · 📦 710 · ⏱️ 14.01.2026):

pip install send2trash

- [Conda](https://anaconda.org/conda-forge/send2trash) (📥 20M · ⏱️ 12.02.2026):

conda install -c conda-forge send2trash

python-mss (🥉28 · ⭐ 1.2K) - An ultra fast cross-platform multiple screenshots module in pure.. MIT

- [GitHub](https://github.com/BoboTiG/python-mss) (👨‍💻 28 · 🔀 110 · 📋 160 - 24% open · ⏱️ 26.02.2026):

git clone https://github.com/BoboTiG/python-mss

- [PyPi](https://pypi.org/project/mss) (📥 2.2M / month · 📦 360 · ⏱️ 16.08.2025):

pip install mss

- [Conda](https://anaconda.org/conda-forge/python-mss) (📥 91K · ⏱️ 16.08.2025):

conda install -c conda-forge python-mss

Show 9 hidden projects...

- pycparser (🥈38 · ⭐ 3.5K) - Complete C99 parser in pure Python. ❗Unlicensed - keyboard (🥉29 · ⭐ 4K · 💀) - Hook and simulate global keyboard events on Windows and Linux. MIT - pyscaffold (🥉29 · ⭐ 2.3K · 💀) - Python project template generator with batteries included. MIT - powerline-shell (🥉28 · ⭐ 6.3K · 💀) - A beautiful and useful prompt for your shell. MIT - pyscreenshot (🥉26 · ⭐ 510 · 💀) - Python screenshot library, replacement for the Pillow.. BSD-2 - catalogue (🥉26 · ⭐ 180 · 💀) - Super lightweight function registries for your library. MIT - pluginbase (🥉25 · ⭐ 1.1K · 💀) - A simple but flexible plugin system for Python. BSD-3 - openpyxl (🥉24 · ⭐ 13) - A Python library to read/write Excel 2010 xlsx/xlsm files. MIT - macropy (🥉23 · ⭐ 3.3K · 💀) - Macros in Python: quasiquotes, case classes, LINQ and more!. MIT

Best-of lists: Discover other best-of lists with awesome open-source projects on all kinds of topics.
best-of-ml-python: A ranked list of awesome machine learning Python libraries.
best-of-web-python: A ranked list of awesome Python libraries for web development.
best-of-python-dev: A ranked list of awesome Python developer tools and libraries.
awesome-python: A curated list of awesome Python frameworks, libraries, software and resources.

Contribution

Contributions are encouraged and always welcome! If you like to add or update projects, choose one of the following ways:

Open an issue by selecting one of the provided categories from the issue page and fill in the requested information.
Modify the projects.yaml with your additions or changes, and submit a pull request. This can also be done directly via the Github UI.

If you like to contribute to or share suggestions regarding the project metadata collection or markdown generation, please refer to the best-of-generator repository. If you like to create your own best-of list, we recommend to follow this guide.

For more information on how to add or update projects, please read the contribution guidelines. By participating in this project, you agree to abide by its Code of Conduct.

License

Credit by: @github.com/ml-tooling/best-of-python

September 28, 2024
in Python
53 min read

Best of Python Developer Tools

Best-of Python Developer Tools

🏆 A ranked list of awesome python developer tools and libraries. Updated weekly.

This curated list contains 270 awesome open-source projects with a total of 1.1M stars grouped into 17 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an issue, submit a pull request, or directly edit the projects.yaml. Contributions are very welcome!

🧙‍♂️ Discover other best-of lists or create your own.
📫 Subscribe to our newsletter for updates and trending projects.

Linters & Style Checkers 40 projects
Type checkers 5 projects
Code Formatters 7 projects
Code Refactoring 18 projects
Code Security 8 projects
Virtual Environments 10 projects
Dependency & Package Managers 11 projects
Code Metrics & Complexity 6 projects
Logging 21 projects
Shell 2 projects
Documentation 29 projects
Debugging Tools 13 projects
Testing Tools 43 projects
Code Packaging 16 projects
Build Tools 14 projects
System Monitoring & Profiling 18 projects
AST Tools 6 projects
Others 1 projects

Explanation

🥇🥈🥉 Combined project-quality score
⭐️ Star count from GitHub
🐣 New project (less than 6 months old)
💤 Inactive project (6 months no activity)
💀 Dead project (12 months no activity)
📈📉 Project is trending up or down
➕ Project was recently added
❗️ Warning (e.g. missing/risky license)
👨‍💻 Contributors count from GitHub
🔀 Fork count from GitHub
📋 Issue count from GitHub
⏱️ Last update timestamp on package manager
📥 Download count from package manager
📦 Number of dependent projects
Flake8 related project
Pytest related project
Pylint related project
Sphinx related project
MkDocs related project

Linters & Style Checkers

ruff (🥇47 · ⭐ 46K) - An extremely fast Python linter and code formatter, written in Rust. MIT

- [GitHub](https://github.com/astral-sh/ruff) (👨‍💻 820 · 🔀 1.8K · 📥 4.3M · 📦 160K · 📋 7.8K - 21% open · ⏱️ 05.03.2026):

git clone https://github.com/charliermarsh/ruff

- [PyPi](https://pypi.org/project/ruff) (📥 160M / month · 📦 41K · ⏱️ 26.02.2026):

pip install ruff

- [Conda](https://anaconda.org/conda-forge/ruff) (📥 6M · ⏱️ 03.03.2026):

conda install -c conda-forge ruff

pylint (🥇44 · ⭐ 5.7K) - Its not just a linter that annoys you!. ❗️GPL-2.0

- [GitHub](https://github.com/pylint-dev/pylint) (👨‍💻 630 · 🔀 1.2K · 📥 600 · 📦 490K · 📋 5.9K - 17% open · ⏱️ 04.03.2026):

git clone https://github.com/PyCQA/pylint

- [PyPi](https://pypi.org/project/pylint) (📥 54M / month · 📦 12K · ⏱️ 20.02.2026):

pip install pylint

- [Conda](https://anaconda.org/conda-forge/pylint) (📥 7.5M · ⏱️ 20.02.2026):

conda install -c conda-forge pylint

flake8 (🥇39 · ⭐ 3.8K · 📉) - Flake8 is a wrapper around these tools: PyFlakes; pycodestyle; Ned.. MIT

- [GitHub](https://github.com/PyCQA/flake8) (👨‍💻 180 · 🔀 340 · 📦 680K · 📋 1.6K - 1% open · ⏱️ 22.12.2025):

git clone https://github.com/PyCQA/flake8

- [PyPi](https://pypi.org/project/flake8) (📥 49M / month · 📦 27K · ⏱️ 20.06.2025):

pip install flake8

- [Conda](https://anaconda.org/conda-forge/flake8) (📥 10M · ⏱️ 26.06.2025):

conda install -c conda-forge flake8

wemake-python-styleguide (🥇37 · ⭐ 2.8K) - The strictest and most opinionated python linter ever!. MIT

- [GitHub](https://github.com/wemake-services/wemake-python-styleguide) (👨‍💻 220 · 🔀 420 · 📦 18K · 📋 1.2K - 1% open · ⏱️ 02.03.2026):

git clone https://github.com/wemake-services/wemake-python-styleguide

- [PyPi](https://pypi.org/project/wemake-python-styleguide) (📥 230K / month · 📦 110 · ⏱️ 28.02.2026):

pip install wemake-python-styleguide

beartype (🥈36 · ⭐ 3.4K) - Unbearably fast near-real-time pure-Python runtime-static type-checker. MIT

- [GitHub](https://github.com/beartype/beartype) (👨‍💻 30 · 🔀 71 · 📦 9.7K · 📋 470 - 22% open · ⏱️ 05.03.2026):

git clone https://github.com/beartype/beartype

- [PyPi](https://pypi.org/project/beartype) (📥 49M / month · 📦 900 · ⏱️ 13.12.2025):

pip install beartype

- [Conda](https://anaconda.org/conda-forge/beartype) (📥 580K · ⏱️ 14.12.2025):

conda install -c conda-forge beartype

parso (🥈36 · ⭐ 660) - A Python Parser. MIT

- [GitHub](https://github.com/davidhalter/parso) (👨‍💻 51 · 🔀 110 · 📦 590K · 📋 120 - 10% open · ⏱️ 09.02.2026):

git clone https://github.com/davidhalter/parso

- [PyPi](https://pypi.org/project/parso) (📥 100M / month · 📦 1.1K · ⏱️ 09.02.2026):

pip install parso

- [Conda](https://anaconda.org/conda-forge/parso) (📥 34M · ⏱️ 09.02.2026):

conda install -c conda-forge parso

pyflakes (🥈35 · ⭐ 1.4K · 💤) - A simple program which checks Python source files for errors. MIT

- [GitHub](https://github.com/PyCQA/pyflakes) (👨‍💻 88 · 🔀 180 · 📦 330K · 📋 550 - 11% open · ⏱️ 20.06.2025):

git clone https://github.com/PyCQA/pyflakes

- [PyPi](https://pypi.org/project/pyflakes) (📥 55M / month · 📦 1.3K · ⏱️ 20.06.2025):

pip install pyflakes

- [Conda](https://anaconda.org/conda-forge/pyflakes) (📥 10M · ⏱️ 21.06.2025):

conda install -c conda-forge pyflakes

flake8-bugbear (🥈33 · ⭐ 1.1K) - A plugin for Flake8 finding likely bugs and design problems.. MIT

- [GitHub](https://github.com/PyCQA/flake8-bugbear) (👨‍💻 90 · 🔀 120 · 📦 42K · 📋 250 - 25% open · ⏱️ 03.03.2026):

git clone https://github.com/PyCQA/flake8-bugbear

- [PyPi](https://pypi.org/project/flake8-bugbear) (📥 6.8M / month · 📦 1.5K · ⏱️ 29.11.2025):

pip install flake8-bugbear

- [Conda](https://anaconda.org/conda-forge/flake8-bugbear) (📥 890K · ⏱️ 02.12.2025):

conda install -c conda-forge flake8-bugbear

pycodestyle (🥈32 · ⭐ 5.2K) - Simple Python style checker in one Python file. MIT

- [GitHub](https://github.com/PyCQA/pycodestyle) (👨‍💻 140 · 🔀 750 · 📋 780 - 13% open · ⏱️ 22.12.2025):

git clone https://github.com/PyCQA/pycodestyle

- [PyPi](https://pypi.org/project/pycodestyle) (📥 70M / month · 📦 2.2K · ⏱️ 20.06.2025):

pip install pycodestyle

- [Conda](https://anaconda.org/conda-forge/pycodestyle) (📥 10M · ⏱️ 22.06.2025):

conda install -c conda-forge pycodestyle

mypy-protobuf (🥈30 · ⭐ 700) - open source tools to generate mypy stubs from protobufs. Apache-2

- [GitHub](https://github.com/nipunn1313/mypy-protobuf) (👨‍💻 40 · 🔀 81 · 📦 4.4K · 📋 150 - 14% open · ⏱️ 13.01.2026):

git clone https://github.com/dropbox/mypy-protobuf

- [PyPi](https://pypi.org/project/mypy-protobuf) (📥 8.5M / month · 📦 270 · ⏱️ 13.01.2026):

pip install mypy-protobuf

- [Conda](https://anaconda.org/conda-forge/mypy-protobuf) (📥 180K · ⏱️ 05.02.2026):

conda install -c conda-forge mypy-protobuf

pylint-django (🥈30 · ⭐ 620) - Pylint plugin for improving code analysis for when.. ❗️GPL-3.0

- [GitHub](https://github.com/pylint-dev/pylint-django) (👨‍💻 72 · 🔀 120 · 📥 430 · 📦 32K · 📋 240 - 27% open · ⏱️ 01.01.2026):

git clone https://github.com/PyCQA/pylint-django

- [PyPi](https://pypi.org/project/pylint-django) (📥 1.9M / month · 📦 160 · ⏱️ 01.01.2026):

pip install pylint-django

- [Conda](https://anaconda.org/conda-forge/pylint-django) (📥 410K · ⏱️ 02.01.2026):

conda install -c conda-forge pylint-django

hacking (🥈29 · ⭐ 240) - OpenStack Hacking Style Checks. Mirror of code maintained at.. Apache-2

- [GitHub](https://github.com/openstack/hacking) (👨‍💻 190 · 🔀 67 · 📦 7.9K · ⏱️ 12.02.2026):

git clone https://github.com/openstack/hacking

- [PyPi](https://pypi.org/project/hacking) (📥 130K / month · 📦 110 · ⏱️ 06.11.2025):

pip install hacking

flake8-isort (🥈29 · ⭐ 190) - flake8 plugin that integrates isort. ❗️GPL-2.0

- [GitHub](https://github.com/gforcada/flake8-isort) (👨‍💻 40 · 🔀 200 · 📦 29K · 📋 60 - 3% open · ⏱️ 25.10.2025):

git clone https://github.com/gforcada/flake8-isort

- [PyPi](https://pypi.org/project/flake8-isort) (📥 1.5M / month · 📦 630 · ⏱️ 25.10.2025):

pip install flake8-isort

- [Conda](https://anaconda.org/conda-forge/flake8-isort) (📥 98K · ⏱️ 25.10.2025):

conda install -c conda-forge flake8-isort

flake8-comprehensions (🥈28 · ⭐ 470) - A flake8 plugin to help you write better.. MIT

- [GitHub](https://github.com/adamchainz/flake8-comprehensions) (👨‍💻 16 · 🔀 23 · 📦 30K · 📋 62 - 9% open · ⏱️ 14.02.2026):

git clone https://github.com/adamchainz/flake8-comprehensions

- [PyPi](https://pypi.org/project/flake8-comprehensions) (📥 1.6M / month · 📦 780 · ⏱️ 09.09.2025):

pip install flake8-comprehensions

- [Conda](https://anaconda.org/conda-forge/flake8-comprehensions) (📥 1M · ⏱️ 10.09.2025):

conda install -c conda-forge flake8-comprehensions

nitpick (🥉26 · ⭐ 410) - Enforce the same settings on multiple projects. MIT

- [GitHub](https://github.com/andreoliwa/nitpick) (👨‍💻 18 · 🔀 24 · 📥 12 · 📦 1.4K · 📋 130 - 36% open · ⏱️ 27.02.2026):

git clone https://github.com/andreoliwa/nitpick

- [PyPi](https://pypi.org/project/nitpick) (📥 14K / month · 📦 26 · ⏱️ 30.11.2025):

pip install nitpick

check-manifest (🥉26 · ⭐ 290) - Tool to check the completeness of MANIFEST.in for Python packages. MIT

- [GitHub](https://github.com/mgedmin/check-manifest) (👨‍💻 23 · 🔀 39 · 📦 12K · 📋 100 - 23% open · ⏱️ 05.01.2026):

git clone https://github.com/mgedmin/check-manifest

- [PyPi](https://pypi.org/project/check-manifest) (📥 800K / month · 📦 5K · ⏱️ 15.10.2025):

pip install check-manifest

- [Conda](https://anaconda.org/conda-forge/check-manifest) (📥 190K · ⏱️ 15.10.2025):

conda install -c conda-forge check-manifest

flake8-commas (🥉26 · ⭐ 130) - Flake8 extension for enforcing trailing commas in python. MIT

- [GitHub](https://github.com/PyCQA/flake8-commas) (👨‍💻 15 · 🔀 30 · 📦 19K · 📋 31 - 9% open · ⏱️ 05.01.2026):

git clone https://github.com/PyCQA/flake8-commas

- [PyPi](https://pypi.org/project/flake8-commas) (📥 290K / month · 📦 220 · ⏱️ 16.05.2024):

pip install flake8-commas

flake8-builtins (🥉26 · ⭐ 120) - Check for python builtins being used as variables or.. ❗️GPL-2.0

- [GitHub](https://github.com/gforcada/flake8-builtins) (👨‍💻 21 · 🔀 25 · 📦 12K · 📋 52 - 5% open · ⏱️ 25.10.2025):

git clone https://github.com/gforcada/flake8-builtins

- [PyPi](https://pypi.org/project/flake8-builtins) (📥 910K / month · 📦 590 · ⏱️ 25.10.2025):

pip install flake8-builtins

- [Conda](https://anaconda.org/conda-forge/flake8-builtins) (📥 480K · ⏱️ 27.10.2025):

conda install -c conda-forge flake8-builtins

flake8-import-order (🥉25 · ⭐ 280) - Flake8 plugin that checks import order against.. ❗️LGPL-3.0

- [GitHub](https://github.com/PyCQA/flake8-import-order) (👨‍💻 50 · 🔀 73 · 📥 11 · 📋 110 - 12% open · ⏱️ 02.03.2026):

git clone https://github.com/PyCQA/flake8-import-order

- [PyPi](https://pypi.org/project/flake8-import-order) (📥 1.5M / month · 📦 650 · ⏱️ 24.06.2025):

pip install flake8-import-order

- [Conda](https://anaconda.org/conda-forge/flake8-import-order) (📥 420K · ⏱️ 26.06.2025):

conda install -c conda-forge flake8-import-order

flake8-black (🥉25 · ⭐ 160) - flake8 plugin to run black for checking Python coding style. MIT

- [GitHub](https://github.com/peterjc/flake8-black) (👨‍💻 11 · 🔀 11 · 📦 8.7K · 📋 31 - 12% open · ⏱️ 02.02.2026):

git clone https://github.com/peterjc/flake8-black

- [PyPi](https://pypi.org/project/flake8-black) (📥 630K / month · 📦 540 · ⏱️ 21.09.2025):

pip install flake8-black

- [Conda](https://anaconda.org/conda-forge/flake8-black) (📥 490K · ⏱️ 22.09.2025):

conda install -c conda-forge flake8-black

flake8-simplify (🥉24 · ⭐ 200) - A flake8 plugin that helps you to simplify code. MIT

- [GitHub](https://github.com/MartinThoma/flake8-simplify) (👨‍💻 16 · 🔀 23 · 📋 130 - 42% open · ⏱️ 01.01.2026):

git clone https://github.com/MartinThoma/flake8-simplify

- [PyPi](https://pypi.org/project/flake8-simplify) (📥 370K / month · 📦 140 · ⏱️ 01.01.2026):

pip install flake8-simplify

- [Conda](https://anaconda.org/conda-forge/flake8-simplify) (📥 68K · ⏱️ 06.01.2026):

conda install -c conda-forge flake8-simplify

Show 19 hidden projects...

- pydocstyle (🥈32 · ⭐ 1.1K · 💀) - docstring style checker. MIT - coala (🥈28 · ⭐ 3.6K · 💀) - coala provides a unified command-line interface for linting and.. ❗️AGPL-3.0 - pep8-naming (🥈28 · ⭐ 530 · 💤) - Naming Convention checker for Python. ❗️Saxpath - darglint (🥈28 · ⭐ 480 · 💀) - A python documentation linter which checks that the docstring.. MIT - flake8-quotes (🥉27 · ⭐ 180 · 💀) - Flake8 extension for checking quotes in python. MIT - pylama (🥉26 · ⭐ 1.1K · 💀) - Code audit tool for python. MIT - Fixit (🥉25 · ⭐ 700) - Advanced Python linting framework with auto-fixes and hierarchical.. ❗Unlicensed - flake8-eradicate (🥉25 · ⭐ 320 · 💀) - Flake8 plugin to find commented out or dead code. MIT - data-science-types (🥉25 · ⭐ 200 · 💀) - Mypy stubs, i.e., type information, for numpy, pandas.. Apache-2 - pandas-vet (🥉22 · ⭐ 170 · 💀) - A plugin for Flake8 that checks pandas code. MIT - flake8-bandit (🥉21 · ⭐ 120 · 💀) - Automated security testing using bandit and flake8. MIT - flakehell (🥉19 · ⭐ 230 · 💀) - Flake8 wrapper to make it nice, legacy-friendly, configurable. MIT - flake8-mypy (🥉19 · ⭐ 100 · 💀) - A plugin for flake8 integrating Mypy. MIT - pylint-flask (🥉18 · ⭐ 64 · 💀) - A Pylint plugin to analyze Flask applications. ❗️GPL-2.0 - pycycle (🥉17 · ⭐ 360 · 💀) - Tool for pinpointing circular imports in Python. Find cyclic imports.. MIT - bellybutton (🥉17 · ⭐ 280 · 💀) - Custom Python linting through AST expressions. MIT - imhotep (🥉17 · ⭐ 220 · 💀) - A static-analysis bot for Github. MIT - yala (🥉15 · ⭐ 15 · 💀) - Yet Another Linter Aggregator. MIT - linty_fresh (🥉12 · ⭐ 180 · 💀) - Surface lint errors during code review. Apache-2 mypy

Type checkers

mypy (🥇49 · ⭐ 20K) - Optional static typing for Python. MIT

- [GitHub](https://github.com/python/mypy) (👨‍💻 840 · 🔀 3.1K · 📦 350K · 📋 12K - 25% open · ⏱️ 04.03.2026):

git clone https://github.com/python/mypy

- [PyPi](https://pypi.org/project/mypy) (📥 110M / month · 📦 39K · ⏱️ 15.12.2025):

pip install mypy

- [Conda](https://anaconda.org/conda-forge/mypy) (📥 6.9M · ⏱️ 15.12.2025):

conda install -c conda-forge mypy

pyright (🥈38 · ⭐ 15K) - Static Type Checker for Python. MIT

- [GitHub](https://github.com/microsoft/pyright) (👨‍💻 140 · 🔀 1.8K · 📥 6.4K · 📦 1.5K · 📋 7.4K - 2% open · ⏱️ 20.02.2026):

git clone https://github.com/Microsoft/pyright

- [npm](https://www.npmjs.com/package/pyright) (📥 2.4M / month · 📦 39 · ⏱️ 08.01.2026):

npm install pyright

pyre-check (🥉33 · ⭐ 7.1K) - Performant type-checking for python. MIT

- [GitHub](https://github.com/facebook/pyre-check) (👨‍💻 300 · 🔀 450 · 📦 21 · 📋 460 - 32% open · ⏱️ 05.03.2026):

git clone https://github.com/facebook/pyre-check

- [PyPi](https://pypi.org/project/pyre-check) (📥 160K / month · 📦 87 · ⏱️ 07.07.2025):

pip install pyre-check

pytype (🥉32 · ⭐ 5K) - A static type analyzer for Python code. Apache-2

- [GitHub](https://github.com/google/pytype) (👨‍💻 110 · 🔀 290 · 📦 4.3K · 📋 950 - 21% open · ⏱️ 23.01.2026):

git clone https://github.com/google/pytype

- [PyPi](https://pypi.org/project/pytype) (📥 570K / month · 📦 230 · ⏱️ 11.10.2024):

pip install pytype

- [Conda](https://anaconda.org/conda-forge/pytype) (📥 610K · ⏱️ 22.04.2025):

conda install -c conda-forge pytype

Show 1 hidden projects...

- typeguard (🥉33 · ⭐ 1.7K) - Run-time type checker for Python. ❗Unlicensed

Code Formatters

black (🥇46 · ⭐ 41K) - The uncompromising Python code formatter. MIT

- [GitHub](https://github.com/psf/black) (👨‍💻 510 · 🔀 2.7K · 📥 140K · 📦 670K · 📋 2.8K - 11% open · ⏱️ 03.03.2026):

git clone https://github.com/psf/black

- [PyPi](https://pypi.org/project/black) (📥 100M / month · 📦 52K · ⏱️ 18.01.2026):

pip install black

- [Conda](https://anaconda.org/conda-forge/black) (📥 18M · ⏱️ 21.01.2026):

conda install -c conda-forge black

isort (🥈42 · ⭐ 6.9K) - A Python utility / library to sort imports. MIT

- [GitHub](https://github.com/PyCQA/isort) (👨‍💻 330 · 🔀 620 · 📦 570K · 📋 1.4K - 12% open · ⏱️ 28.02.2026):

git clone https://github.com/PyCQA/isort

- [PyPi](https://pypi.org/project/isort) (📥 94M / month · 📦 27K · ⏱️ 28.02.2026):

pip install isort

- [Conda](https://anaconda.org/conda-forge/isort) (📥 8.8M · ⏱️ 28.02.2026):

conda install -c conda-forge isort

autopep8 (🥉35 · ⭐ 4.7K) - A tool that automatically formats Python code to conform to the PEP 8.. MIT

- [GitHub](https://github.com/hhatto/autopep8) (👨‍💻 64 · 🔀 290 · 📦 230K · 📋 520 - 23% open · ⏱️ 24.11.2025):

git clone https://github.com/hhatto/autopep8

- [PyPi](https://pypi.org/project/autopep8) (📥 8.3M / month · 📦 1.7K · ⏱️ 14.01.2025):

pip install autopep8

- [Conda](https://anaconda.org/conda-forge/autopep8) (📥 2.6M · ⏱️ 22.04.2025):

conda install -c conda-forge autopep8

docformatter (🥉28 · ⭐ 580) - Formats docstrings to follow PEP 257. MIT

- [GitHub](https://github.com/PyCQA/docformatter) (👨‍💻 40 · 🔀 85 · 📥 61 · 📦 4.4K · 📋 180 - 14% open · ⏱️ 11.01.2026):

git clone https://github.com/myint/docformatter

- [PyPi](https://pypi.org/project/docformatter) (📥 1M / month · 📦 300 · ⏱️ 11.05.2025):

pip install docformatter

- [Conda](https://anaconda.org/conda-forge/docformatter) (📥 320K · ⏱️ 11.05.2025):

conda install -c conda-forge docformatter

Show 3 hidden projects...

- yapf (🥈39 · ⭐ 14K · 💀) - A formatter for Python files. Apache-2 - pyformat (🥉19 · ⭐ 94 · 💀) - Formats Python code to follow a consistent style. ❗️Saxpath - autoimport (🥉18 · ⭐ 100 · 💀) - Autoimport automatically fixes wrong import statements. ❗️GPL-3.0

Code Refactoring

jedi (🥇41 · ⭐ 6.1K) - Awesome autocompletion, static analysis and refactoring library for python. MIT

- [GitHub](https://github.com/davidhalter/jedi) (👨‍💻 180 · 🔀 520 · 📦 590K · 📋 1.5K - 6% open · ⏱️ 13.02.2026):

git clone https://github.com/davidhalter/jedi

- [PyPi](https://pypi.org/project/jedi) (📥 100M / month · 📦 1.2K · ⏱️ 11.11.2024):

pip install jedi

- [Conda](https://anaconda.org/conda-forge/jedi) (📥 36M · ⏱️ 22.04.2025):

conda install -c conda-forge jedi

rope (🥇34 · ⭐ 2.2K) - a python refactoring library. ❗️LGPL-3.0

- [GitHub](https://github.com/python-rope/rope) (👨‍💻 84 · 🔀 170 · 📥 45 · 📦 79K · 📋 380 - 31% open · ⏱️ 04.01.2026):

git clone https://github.com/python-rope/rope

- [PyPi](https://pypi.org/project/rope) (📥 1.1M / month · 📦 320 · ⏱️ 12.07.2025):

pip install rope

- [Conda](https://anaconda.org/conda-forge/rope) (📥 2.3M · ⏱️ 13.07.2025):

conda install -c conda-forge rope

vulture (🥈33 · ⭐ 4.4K) - Find dead Python code. MIT

- [GitHub](https://github.com/jendrikseipp/vulture) (👨‍💻 48 · 🔀 180 · 📦 6.5K · 📋 250 - 22% open · ⏱️ 04.03.2026):

git clone https://github.com/jendrikseipp/vulture

- [PyPi](https://pypi.org/project/vulture) (📥 5.6M / month · 📦 600 · ⏱️ 04.03.2026):

pip install vulture

- [Conda](https://anaconda.org/conda-forge/vulture) (📥 170K · ⏱️ 22.04.2025):

conda install -c conda-forge vulture

pyupgrade (🥈31 · ⭐ 4K) - A tool (and pre-commit hook) to automatically upgrade syntax for newer.. MIT

- [GitHub](https://github.com/asottile/pyupgrade) (👨‍💻 36 · 🔀 200 · 📋 470 - 4% open · ⏱️ 22.12.2025):

git clone https://github.com/asottile/pyupgrade

- [PyPi](https://pypi.org/project/pyupgrade) (📥 1.3M / month · 📦 630 · ⏱️ 19.11.2025):

pip install pyupgrade

- [Conda](https://anaconda.org/conda-forge/pyupgrade) (📥 920K · ⏱️ 19.11.2025):

conda install -c conda-forge pyupgrade

autoflake (🥈30 · ⭐ 950) - Removes unused imports and unused variables as reported by pyflakes. MIT

- [GitHub](https://github.com/PyCQA/autoflake) (👨‍💻 40 · 🔀 84 · 📋 120 - 31% open · ⏱️ 01.03.2026):

git clone https://github.com/myint/autoflake

- [PyPi](https://pypi.org/project/autoflake) (📥 5.8M / month · 📦 1.4K · ⏱️ 20.02.2026):

pip install autoflake

- [Conda](https://anaconda.org/conda-forge/autoflake) (📥 650K · ⏱️ 20.02.2026):

conda install -c conda-forge autoflake

MonkeyType (🥈26 · ⭐ 5K · 💤) - A Python library that generates static type annotations by.. BSD-3

- [GitHub](https://github.com/Instagram/MonkeyType) (👨‍💻 51 · 🔀 200 · 📋 200 - 30% open · ⏱️ 14.06.2025):

git clone https://github.com/Instagram/MonkeyType

- [PyPi](https://pypi.org/project/monkeytype) (📥 260K / month · 📦 23 · ⏱️ 20.03.2023):

pip install monkeytype

- [Conda](https://anaconda.org/conda-forge/monkeytype) (📥 120K · ⏱️ 22.04.2025):

conda install -c conda-forge monkeytype

unimport (🥉24 · ⭐ 250) - The ultimate linter and formatter for removing unused import statements.. MIT

- [GitHub](https://github.com/hakancelikdev/unimport) (👨‍💻 16 · 🔀 21 · 📦 160 · 📋 120 - 0% open · ⏱️ 18.02.2026):

git clone https://github.com/hakancelik96/unimport

- [PyPi](https://pypi.org/project/unimport) (📥 59K / month · 📦 40 · ⏱️ 18.02.2026):

pip install unimport

add-trailing-comma (🥉22 · ⭐ 370) - A tool (and pre-commit hook) to automatically add trailing.. MIT

- [GitHub](https://github.com/asottile/add-trailing-comma) (👨‍💻 11 · 🔀 29 · ⏱️ 22.12.2025):

git clone https://github.com/asottile/add-trailing-comma

- [PyPi](https://pypi.org/project/add-trailing-comma) (📥 110K / month · 📦 41 · ⏱️ 10.10.2025):

pip install add-trailing-comma

com2ann (🥉19 · ⭐ 160 · 💤) - Tool for translation type comments to type annotations in Python. MIT

- [GitHub](https://github.com/ilevkivskyi/com2ann) (👨‍💻 8 · 🔀 13 · 📦 98 · 📋 33 - 30% open · ⏱️ 02.06.2025):

git clone https://github.com/ilevkivskyi/com2ann

- [PyPi](https://pypi.org/project/com2ann) (📥 19K / month · 📦 2 · ⏱️ 21.08.2021):

pip install com2ann

massedit (🥉17 · ⭐ 120) - Programmatically edit text files with Python. Useful for source to source.. MIT

- [GitHub](https://github.com/elmotec/massedit) (👨‍💻 9 · 🔀 15 · 📥 33 · 📦 54 · 📋 8 - 12% open · ⏱️ 21.09.2025):

git clone https://github.com/elmotec/massedit

- [PyPi](https://pypi.org/project/massedit) (📥 2.7K / month · 📦 3 · ⏱️ 21.09.2025):

pip install massedit

Show 8 hidden projects...

- redbaron (🥈26 · ⭐ 720 · 💀) - Bottom-up approach to refactoring in python. ❗️LGPL-3.0 - baron (🥉24 · ⭐ 300 · 💀) - IDE allow you to refactor code, Baron allows you to write.. ❗️LGPL-3.0 - eradicate (🥉24 · ⭐ 220) - Removes commented-out code from Python files. ❗️Saxpath - Bowler (🥉23 · ⭐ 1.6K · 💀) - Safe code refactoring for modern Python. MIT - pyannotate (🥉23 · ⭐ 1.4K · 💀) - Auto-generate PEP-484 annotations. Apache-2 - unify (🥉20 · ⭐ 97 · 💀) - Modifies strings to all use the same quote where possible. MIT - pep8ify (🥉15 · ⭐ 120 · 💀) - A library that modifies python source code to conform to pep8. Apache-2 - retype (🥉14 · ⭐ 150 · 💀) - Re-apply type annotations from .pyi stubs to your codebase. MIT

Code Security

bandit (🥇38 · ⭐ 7.8K) - Bandit is a tool designed to find common security issues in Python.. Apache-2

- [GitHub](https://github.com/PyCQA/bandit) (👨‍💻 200 · 🔀 730 · 📥 920 · 📦 63K · 📋 740 - 28% open · ⏱️ 23.02.2026):

git clone https://github.com/PyCQA/bandit

- [PyPi](https://pypi.org/project/bandit) (📥 16M / month · 📦 3.4K · ⏱️ 25.02.2026):

pip install bandit

- [Conda](https://anaconda.org/conda-forge/bandit) (📥 590K · ⏱️ 25.02.2026):

conda install -c conda-forge bandit

sqlmap (🥈36 · ⭐ 37K) - Automatic SQL injection and database takeover tool. ❗️GPL-3.0

- [GitHub](https://github.com/sqlmapproject/sqlmap) (👨‍💻 150 · 🔀 6.2K · 📦 21 · 📋 5.4K - 1% open · ⏱️ 26.02.2026):

git clone https://github.com/sqlmapproject/sqlmap

- [PyPi](https://pypi.org/project/sqlmap) (📥 24K / month · 📦 12 · ⏱️ 01.02.2026):

pip install sqlmap

safety (🥈36 · ⭐ 2K) - Safety checks Python dependencies for known security vulnerabilities and.. MIT

- [GitHub](https://github.com/pyupio/safety) (👨‍💻 55 · 🔀 170 · 📥 990K · 📦 19K · 📋 270 - 16% open · ⏱️ 04.03.2026):

git clone https://github.com/pyupio/safety

- [PyPi](https://pypi.org/project/safety) (📥 4.6M / month · 📦 1.3K · ⏱️ 25.02.2026):

pip install safety

- [Conda](https://anaconda.org/conda-forge/safety) (📥 160K · ⏱️ 07.11.2025):

conda install -c conda-forge safety

dlint (🥉20 · ⭐ 170) - Dlint is a tool for encouraging best coding practices and helping ensure.. BSD-3

- [GitHub](https://github.com/dlint-py/dlint) (👨‍💻 16 · 🔀 16 · 📋 48 - 50% open · ⏱️ 07.01.2026):

git clone https://github.com/dlint-py/dlint

- [PyPi](https://pypi.org/project/dlint) (📥 110K / month · 📦 93 · ⏱️ 31.10.2024):

pip install dlint

- [Conda](https://anaconda.org/conda-forge/dlint) (📥 13K · ⏱️ 22.04.2025):

conda install -c conda-forge dlint

Show 4 hidden projects...

- pyarmor (🥉34 · ⭐ 5K) - A tool used to obfuscate python scripts, bind obfuscated scripts to.. ❗️SGI-B-2.0 - detect-secrets (🥉29 · ⭐ 4.4K · 💀) - An enterprise friendly way of detecting and preventing.. Apache-2 - dodgy (🥉21 · ⭐ 130 · 💀) - Looks at Python code to search for things which look dodgy such as.. MIT - pyt (🥉20 · ⭐ 2.2K · 💀) - A Static Analysis Tool for Detecting Security Vulnerabilities in.. ❗️GPL-2.0

Virtual Environments

pipenv (🥇46 · ⭐ 25K) - Python Development Workflow for Humans. MIT

- [GitHub](https://github.com/pypa/pipenv) (👨‍💻 540 · 🔀 1.9K · 📦 170K · 📋 4.3K - 3% open · ⏱️ 08.02.2026):

git clone https://github.com/pypa/pipenv

- [PyPi](https://pypi.org/project/pipenv) (📥 24M / month · 📦 250 · ⏱️ 17.12.2025):

pip install pipenv

- [Conda](https://anaconda.org/conda-forge/pipenv) (📥 320K · ⏱️ 17.12.2025):

conda install -c conda-forge pipenv

virtualenv (🥈45 · ⭐ 5K) - Virtual Python Environment builder. MIT

- [GitHub](https://github.com/pypa/virtualenv) (👨‍💻 300 · 🔀 1.1K · 📥 34 · 📦 500K · ⏱️ 03.03.2026):

git clone https://github.com/pypa/virtualenv

- [PyPi](https://pypi.org/project/virtualenv) (📥 330M / month · 📦 2.1K · ⏱️ 27.02.2026):

pip install virtualenv

- [Conda](https://anaconda.org/conda-forge/virtualenv) (📥 20M · ⏱️ 04.03.2026):

conda install -c conda-forge virtualenv

nodeenv (🥈37 · ⭐ 1.8K) - Virtual environment for Node.js & integrator with virtualenv. BSD-3

- [GitHub](https://github.com/ekalinin/nodeenv) (👨‍💻 110 · 🔀 220 · 📦 130K · 📋 230 - 28% open · ⏱️ 27.12.2025):

git clone https://github.com/ekalinin/nodeenv

- [PyPi](https://pypi.org/project/nodeenv) (📥 110M / month · 📦 410 · ⏱️ 20.12.2025):

pip install nodeenv

- [Conda](https://anaconda.org/conda-forge/nodeenv) (📥 7.7M · ⏱️ 20.12.2025):

conda install -c conda-forge nodeenv

pyenv (🥈35 · ⭐ 44K) - Simple Python version management. MIT

- [GitHub](https://github.com/pyenv/pyenv) (👨‍💻 470 · 🔀 3.2K · 📦 21 · 📋 1.9K - 4% open · ⏱️ 04.03.2026):

git clone https://github.com/pyenv/pyenv

- [PyPi](https://pypi.org/project/pyenv) (📥 14K / month · ⏱️ 12.01.2019):

pip install pyenv

pyenv-virtualenv (🥉23 · ⭐ 6.7K) - a pyenv plugin to manage virtualenv (a.k.a. python-virtualenv). MIT

- [GitHub](https://github.com/pyenv/pyenv-virtualenv) (👨‍💻 67 · 🔀 430 · 📦 21 · 📋 360 - 27% open · ⏱️ 18.12.2025):

git clone https://github.com/pyenv/pyenv-virtualenv

pyenv-installer (🥉16 · ⭐ 4.1K) - This tool is used to install `pyenv` and friends. MIT

- [GitHub](https://github.com/pyenv/pyenv-installer) (👨‍💻 43 · 🔀 460 · 📋 88 - 9% open · ⏱️ 05.09.2025):

git clone https://github.com/pyenv/pyenv-installer

Show 4 hidden projects...

- vex (🥉18 · ⭐ 370 · 💀) - Run a command in the named virtualenv. MIT - dh-virtualenv (🥉16 · ⭐ 1.6K · 💀) - Python virtualenvs in Debian packages. ❗️GPL-2.0 - pipenv-pipes (🥉14 · ⭐ 130 · 💀) - A PipEnv Environment Switcher. MIT - freshenv (🥉13 · ⭐ 170 · 💀) - Provision, share, manage local and cloud developer environments. MPL-2.0

Dependency & Package Managers

pip (🥇47 · ⭐ 10K) - The Python package installer. MIT

- [GitHub](https://github.com/pypa/pip) (👨‍💻 870 · 🔀 3.2K · 📦 250K · 📋 7.8K - 13% open · ⏱️ 04.03.2026):

git clone https://github.com/pypa/pip

- [PyPi](https://pypi.org/project/pip) (📥 660M / month · 📦 5.7K · ⏱️ 05.02.2026):

pip install pip

- [Conda](https://anaconda.org/conda-forge/pip) (📥 200M · ⏱️ 05.02.2026):

conda install -c conda-forge pip

conda (🥇43 · ⭐ 7.3K) - A system-level, binary package and environment manager running on all.. BSD-3

- [GitHub](https://github.com/conda/conda) (👨‍💻 490 · 🔀 2.1K · 📥 43K · 📦 52K · 📋 10K - 5% open · ⏱️ 04.03.2026):

git clone https://github.com/conda/conda

- [PyPi](https://pypi.org/project/conda) (📥 6.4K / month · 📦 83 · ⏱️ 22.04.2017):

pip install conda

- [Conda](https://anaconda.org/conda-forge/conda) (📥 70M · ⏱️ 27.02.2026):

conda install -c conda-forge conda

poetry (🥈42 · ⭐ 34K) - Python packaging and dependency management made easy. MIT

- [GitHub](https://github.com/python-poetry/poetry) (👨‍💻 640 · 🔀 2.4K · 📥 16M · 📋 6.4K - 9% open · ⏱️ 28.02.2026):

git clone https://github.com/python-poetry/poetry

- [PyPi](https://pypi.org/project/poetry) (📥 72M / month · 📦 900 · ⏱️ 01.02.2026):

pip install poetry

- [Conda](https://anaconda.org/conda-forge/poetry) (📥 7.7M · ⏱️ 21.01.2026):

conda install -c conda-forge poetry

pip-tools (🥈39 · ⭐ 8K) - A set of tools to keep your pinned Python dependencies fresh. BSD-3

- [GitHub](https://github.com/jazzband/pip-tools) (👨‍💻 220 · 🔀 640 · 📦 37K · 📋 1.2K - 16% open · ⏱️ 05.03.2026):

git clone https://github.com/jazzband/pip-tools

- [PyPi](https://pypi.org/project/pip-tools) (📥 23M / month · 📦 2.9K · ⏱️ 11.02.2026):

pip install pip-tools

- [Conda](https://anaconda.org/conda-forge/pip-tools) (📥 300K · ⏱️ 12.02.2026):

conda install -c conda-forge pip-tools

PDM (🥈37 · ⭐ 8.5K) - A modern Python package and dependency manager supporting the latest PEP.. MIT

- [GitHub](https://github.com/pdm-project/pdm) (👨‍💻 240 · 🔀 460 · 📥 13K · 📦 570 · 📋 2K - 2% open · ⏱️ 05.03.2026):

git clone https://github.com/pdm-project/pdm

- [PyPi](https://pypi.org/project/pdm) (📥 8.7M / month · 📦 220 · ⏱️ 22.01.2026):

pip install pdm

- [Conda](https://anaconda.org/conda-forge/pdm) (📥 1.7M · ⏱️ 23.01.2026):

conda install -c conda-forge pdm

pipx (🥉35 · ⭐ 13K) - Install and Run Python Applications in Isolated Environments. MIT

- [GitHub](https://github.com/pypa/pipx) (👨‍💻 170 · 🔀 510 · 📥 910K · 📦 4.7K · 📋 890 - 17% open · ⏱️ 23.01.2026):

git clone https://github.com/pypa/pipx

- [PyPi](https://pypi.org/project/pipx) (📥 8.1M / month · 📦 75 · ⏱️ 30.09.2025):

pip install pipx

- [Conda](https://anaconda.org/conda-forge/pipx) (📥 200K · ⏱️ 26.10.2025):

conda install -c conda-forge pipx

pipreqs (🥉33 · ⭐ 7.4K) - pipreqs - Generate pip requirements.txt file based on imports of any.. Apache-2

- [GitHub](https://github.com/bndr/pipreqs) (👨‍💻 76 · 🔀 420 · 📦 40K · 📋 330 - 65% open · ⏱️ 01.03.2026):

git clone https://github.com/bndr/pipreqs

- [PyPi](https://pypi.org/project/pipreqs) (📥 900K / month · 📦 320 · ⏱️ 18.02.2024):

pip install pipreqs

- [Conda](https://anaconda.org/conda-forge/pipreqs) (📥 90K · ⏱️ 22.04.2025):

conda install -c conda-forge pipreqs

mamba (🥉30 · ⭐ 7.9K) - The Fast Cross-Platform Package Manager. BSD-3

- [GitHub](https://github.com/mamba-org/mamba) (👨‍💻 180 · 🔀 430 · 📋 2.1K - 22% open · ⏱️ 04.03.2026):

git clone https://github.com/mamba-org/mamba

- [Conda](https://anaconda.org/conda-forge/mamba) (📥 22M · ⏱️ 08.01.2026):

conda install -c conda-forge mamba

pyflow (🥉21 · ⭐ 1.3K) - An installation and dependency system for Python. MIT

- [GitHub](https://github.com/David-OConnor/pyflow) (👨‍💻 29 · 🔀 48 · 📥 8.9K · 📦 42 · 📋 140 - 46% open · ⏱️ 30.12.2025):

git clone https://github.com/David-OConnor/pyflow

- [PyPi](https://pypi.org/project/pyflow) (📥 320 / month · 📦 1 · ⏱️ 02.07.2021):

pip install pyflow

Show 2 hidden projects...

- dephell (🥉26 · ⭐ 1.8K · 💀) - Python project management. Manage packages: convert between formats,.. MIT - pip-run (🥉18 · ⭐ 140 · 💤) - pip-run - dynamic dependency loader for Python. ❗Unlicensed

Code Metrics & Complexity

prospector (🥇34 · ⭐ 2.1K) - Inspects Python source files and provides information about.. ❗️GPL-2.0

- [GitHub](https://github.com/prospector-dev/prospector) (👨‍💻 98 · 🔀 180 · 📦 5.4K · 📋 400 - 8% open · ⏱️ 16.02.2026):

git clone https://github.com/PyCQA/prospector

- [PyPi](https://pypi.org/project/prospector) (📥 500K / month · 📦 290 · ⏱️ 03.02.2026):

pip install prospector

- [Conda](https://anaconda.org/conda-forge/prospector) (📥 210K · ⏱️ 03.02.2026):

conda install -c conda-forge prospector

mccabe (🥈31 · ⭐ 680 · 💀) - McCabe complexity checker for Python. ❗️Saxpath

- [GitHub](https://github.com/PyCQA/mccabe) (👨‍💻 24 · 🔀 65 · 📦 520K · 📋 55 - 18% open · ⏱️ 03.12.2023):

git clone https://github.com/PyCQA/mccabe

- [PyPi](https://pypi.org/project/mccabe) (📥 78M / month · 📦 930 · ⏱️ 24.01.2022):

pip install mccabe

- [Conda](https://anaconda.org/conda-forge/mccabe) (📥 11M · ⏱️ 22.04.2025):

conda install -c conda-forge mccabe

wily (🥉26 · ⭐ 1.3K) - A Python application for tracking, reporting on timing and complexity in.. Apache-2

- [GitHub](https://github.com/tonybaloney/wily) (👨‍💻 24 · 🔀 63 · 📦 280 · 📋 120 - 37% open · ⏱️ 19.10.2025):

git clone https://github.com/tonybaloney/wily

- [PyPi](https://pypi.org/project/wily) (📥 43K / month · 📦 2 · ⏱️ 11.10.2023):

pip install wily

Show 3 hidden projects...

- radon (🥈30 · ⭐ 1.9K · 💀) - Various code metrics for Python code. MIT - xenon (🥉24 · ⭐ 270 · 💀) - Monitoring tool based on radon. MIT - cohesion (🥉16 · ⭐ 260 · 💀) - A tool for measuring Python class cohesion. ❗️GPL-3.0

Logging

rich (🥇47 · ⭐ 56K) - Rich is a Python library for rich text and beautiful formatting in the terminal. MIT

- [GitHub](https://github.com/Textualize/rich) (👨‍💻 290 · 🔀 2K · 📦 510K · 📋 1.6K - 19% open · ⏱️ 26.02.2026):

git clone https://github.com/Textualize/rich

- [PyPi](https://pypi.org/project/rich) (📥 370M / month · 📦 35K · ⏱️ 19.02.2026):

pip install rich

- [Conda](https://anaconda.org/conda-forge/rich) (📥 18M · ⏱️ 20.02.2026):

conda install -c conda-forge rich

tqdm (🥇44 · ⭐ 31K) - A Fast, Extensible Progress Bar for Python and CLI. MPL-2.0

- [GitHub](https://github.com/tqdm/tqdm) (👨‍💻 130 · 🔀 1.4K · 📥 20K · 📦 1.2M · 📋 1.2K - 49% open · ⏱️ 03.02.2026):

git clone https://github.com/tqdm/tqdm

- [PyPi](https://pypi.org/project/tqdm) (📥 340M / month · 📦 50K · ⏱️ 03.02.2026):

pip install tqdm

- [Conda](https://anaconda.org/conda-forge/tqdm) (📥 46M · ⏱️ 03.02.2026):

conda install -c conda-forge tqdm

- [Docker Hub](https://hub.docker.com/r/tqdm/tqdm) (📥 5.9K · ⭐ 3 · ⏱️ 28.02.2026):

docker pull tqdm/tqdm

sentry-sdk (🥇40 · ⭐ 2.1K) - The official Python SDK for Sentry.io. MIT

- [GitHub](https://github.com/getsentry/sentry-python) (👨‍💻 300 · 🔀 580 · 📥 3.8K · 📋 2.1K - 13% open · ⏱️ 05.03.2026):

git clone https://github.com/getsentry/sentry-python

- [PyPi](https://pypi.org/project/sentry-sdk) (📥 96M / month · 📦 1.5K · ⏱️ 03.03.2026):

pip install sentry-sdk

- [Conda](https://anaconda.org/conda-forge/sentry-sdk) (📥 1.5M · ⏱️ 04.03.2026):

conda install -c conda-forge sentry-sdk

loguru (🥈38 · ⭐ 24K) - Python logging made (stupidly) simple. MIT

- [GitHub](https://github.com/Delgan/loguru) (👨‍💻 72 · 🔀 760 · 📦 150K · 📋 1.1K - 20% open · ⏱️ 22.02.2026):

git clone https://github.com/Delgan/loguru

- [PyPi](https://pypi.org/project/loguru) (📥 62M / month · 📦 11K · ⏱️ 06.12.2024):

pip install loguru

- [Conda](https://anaconda.org/conda-forge/loguru) (📥 4.1M · ⏱️ 16.01.2026):

conda install -c conda-forge loguru

structlog (🥈38 · ⭐ 4.6K) - Simple, powerful, and fast logging for Python. Apache-2

- [GitHub](https://github.com/hynek/structlog) (👨‍💻 140 · 🔀 270 · 📦 30K · 📋 390 - 8% open · ⏱️ 04.03.2026):

git clone https://github.com/hynek/structlog

- [PyPi](https://pypi.org/project/structlog) (📥 61M / month · 📦 2.2K · ⏱️ 27.10.2025):

pip install structlog

- [Conda](https://anaconda.org/conda-forge/structlog) (📥 1M · ⏱️ 28.10.2025):

conda install -c conda-forge structlog

tabulate (🥈36 · ⭐ 2.5K · 📈) - Pretty-print tabular data in Python, a library and a command-line.. MIT

- [GitHub](https://github.com/astanin/python-tabulate) (👨‍💻 110 · 🔀 180 · 📋 300 - 37% open · ⏱️ 05.03.2026):

git clone https://github.com/astanin/python-tabulate

- [PyPi](https://pypi.org/project/tabulate) (📥 150M / month · 📦 12K · ⏱️ 04.03.2026):

pip install tabulate

- [Conda](https://anaconda.org/conda-forge/tabulate) (📥 11M · ⏱️ 07.12.2025):

conda install -c conda-forge tabulate

colorlog (🥉31 · ⭐ 960) - A colored formatter for the python logging module. MIT

- [GitHub](https://github.com/borntyping/python-colorlog) (👨‍💻 35 · 🔀 95 · 📦 63K · ⏱️ 16.10.2025):

git clone https://github.com/borntyping/python-colorlog

- [PyPi](https://pypi.org/project/colorlog) (📥 51M / month · 📦 2.7K · ⏱️ 16.10.2025):

pip install colorlog

- [Conda](https://anaconda.org/conda-forge/colorlog) (📥 6.4M · ⏱️ 16.10.2025):

conda install -c conda-forge colorlog

alive-progress (🥉30 · ⭐ 6.3K) - A new kind of Progress Bar, with real-time throughput, ETA, and.. MIT

- [GitHub](https://github.com/rsalmei/alive-progress) (👨‍💻 11 · 🔀 230 · 📦 4.9K · 📋 250 - 6% open · ⏱️ 10.10.2025):

git clone https://github.com/rsalmei/alive-progress

- [PyPi](https://pypi.org/project/alive-progress) (📥 3.2M / month · 📦 590 · ⏱️ 20.07.2025):

pip install alive-progress

- [Conda](https://anaconda.org/conda-forge/alive-progress) (📥 240K · ⏱️ 22.04.2025):

conda install -c conda-forge alive-progress

notifiers (🥉28 · ⭐ 2.7K) - The easy way to send notifications. MIT

- [GitHub](https://github.com/liiight/notifiers) (👨‍💻 27 · 🔀 110 · 📦 1.4K · 📋 110 - 36% open · ⏱️ 26.12.2025):

git clone https://github.com/liiight/notifiers

- [PyPi](https://pypi.org/project/notifiers) (📥 490K / month · 📦 37 · ⏱️ 17.05.2025):

pip install notifiers

- [Conda](https://anaconda.org/conda-forge/notifiers) (📥 65K · ⏱️ 20.05.2025):

conda install -c conda-forge notifiers

better-exceptions (🥉25 · ⭐ 4.7K) - Pretty and useful exceptions in Python, automatically. MIT

- [GitHub](https://github.com/Qix-/better-exceptions) (👨‍💻 19 · 🔀 200 · 📋 85 - 40% open · ⏱️ 22.10.2025):

git clone https://github.com/Qix-/better-exceptions

- [PyPi](https://pypi.org/project/better-exceptions) (📥 430K / month · 📦 100 · ⏱️ 29.01.2021):

pip install better-exceptions

stackprinter (🥉25 · ⭐ 1.3K) - Debugging-friendly exceptions for Python. MIT

- [GitHub](https://github.com/cknd/stackprinter) (👨‍💻 8 · 🔀 41 · 📦 450 · 📋 36 - 30% open · ⏱️ 30.10.2025):

git clone https://github.com/cknd/stackprinter

- [PyPi](https://pypi.org/project/stackprinter) (📥 380K / month · 📦 48 · ⏱️ 13.03.2024):

pip install stackprinter

- [Conda](https://anaconda.org/conda-forge/stackprinter) (📥 17K · ⏱️ 08.01.2026):

conda install -c conda-forge stackprinter

Show 10 hidden projects...

- prettytable (🥈35 · ⭐ 1.6K) - Display tabular data in a visually appealing ASCII table.. ❗Unlicensed - logbook (🥈33 · ⭐ 1.5K) - A cool logging replacement for Python. ❗Unlicensed - python-json-logger (🥈32 · ⭐ 1.8K · 💀) - Json Formatter for the standard python logger. BSD-2 - python-coloredlogs (🥉30 · ⭐ 560 · 💀) - Colored terminal output for Pythons logging module. MIT - progressbar2 (🥉29 · ⭐ 880 · 💀) - Progressbar 2 - A progress bar for Python 2 and Python 3 -.. BSD-3 - wasabi (🥉27 · ⭐ 470 · 💀) - A lightweight console printing and formatting toolkit. MIT - rebound (🥉25 · ⭐ 4.1K · 💀) - Instant Stack Overflow results whenever an exception is thrown. ❗️GPL-2.0 - PrettyErrors (🥉23 · ⭐ 2.9K · 💀) - Prettify Python exception output to make it legible. MIT - python-devtools (🥉22 · ⭐ 1.1K · 💀) - Dev tools for python. MIT - tbvaccine (🥉17 · ⭐ 380 · 💀) - A small utility to pretty-print Python tracebacks. MIT

Shell

xxh (🥉19 · ⭐ 5.9K) - Bring your favorite shell wherever you go through the ssh. Xonsh shell,.. BSD-2

- [GitHub](https://github.com/xxh/xxh) (👨‍💻 27 · 🔀 120 · 📥 5.1K · 📋 99 - 30% open · ⏱️ 22.09.2025):

git clone https://github.com/xxh/xxh

- [PyPi](https://pypi.org/project/xxh-xxh) (📥 880 / month · ⏱️ 06.04.2024):

pip install xxh-xxh

Show 1 hidden projects...

- xonsh (🥇38 · ⭐ 9.2K) - Python-powered shell. Full-featured, cross-platform and AI-.. ❗️BSD-1-Clause

Documentation

🔗 best-of-mkdocs ( ⭐ 1.7K) - Collection of MkDocs projects and plugins.

mkdocs-material (🥇42 · ⭐ 26K) - Documentation that simply works. MIT

- [GitHub](https://github.com/squidfunk/mkdocs-material) (👨‍💻 330 · 🔀 4K · 📦 81K · 📋 2.7K - 0% open · ⏱️ 05.03.2026):

git clone https://github.com/squidfunk/mkdocs-material

- [PyPi](https://pypi.org/project/mkdocs-material) (📥 15M / month · 📦 8.9K · ⏱️ 03.03.2026):

pip install mkdocs-material

- [Conda](https://anaconda.org/conda-forge/mkdocs-material) (📥 900K · ⏱️ 25.02.2026):

conda install -c conda-forge mkdocs-material

mkdocs (🥇40 · ⭐ 22K) - Project documentation with Markdown. BSD-2

- [GitHub](https://github.com/mkdocs/mkdocs) (👨‍💻 260 · 🔀 2.6K · 📦 96K · 📋 2.1K - 6% open · ⏱️ 20.10.2025):

git clone https://github.com/mkdocs/mkdocs

- [PyPi](https://pypi.org/project/mkdocs) (📥 15M / month · 📦 7.1K · ⏱️ 30.08.2024):

pip install mkdocs

- [Conda](https://anaconda.org/conda-forge/mkdocs) (📥 790K · ⏱️ 22.04.2025):

conda install -c conda-forge mkdocs

sphinx_rtd_theme (🥈38 · ⭐ 5K) - Sphinx theme from Read the Docs. MIT

- [GitHub](https://github.com/readthedocs/sphinx_rtd_theme) (👨‍💻 120 · 🔀 1.8K · 📦 16 · 📋 940 - 27% open · ⏱️ 12.01.2026):

git clone https://github.com/readthedocs/sphinx_rtd_theme

- [PyPi](https://pypi.org/project/sphinx_rtd_theme) (📥 13M / month · 📦 20K · ⏱️ 12.01.2026):

pip install sphinx_rtd_theme

- [Conda](https://anaconda.org/conda-forge/sphinx_rtd_theme) (📥 4.9M · ⏱️ 23.01.2026):

conda install -c conda-forge sphinx_rtd_theme

mkdocstrings (🥈34 · ⭐ 2.1K) - Automatic documentation from sources, for MkDocs. ISC

- [GitHub](https://github.com/mkdocstrings/mkdocstrings) (👨‍💻 54 · 🔀 120 · 📦 24K · 📋 470 - 1% open · ⏱️ 10.02.2026):

git clone https://github.com/mkdocstrings/mkdocstrings

- [PyPi](https://pypi.org/project/mkdocstrings) (📥 6.9M / month · 📦 1.9K · ⏱️ 07.02.2026):

pip install mkdocstrings

- [Conda](https://anaconda.org/conda-forge/mkdocstrings) (📥 310K · ⏱️ 08.02.2026):

conda install -c conda-forge mkdocstrings

Griffe (🥈34 · ⭐ 610 · 📈) - Signatures for entire Python programs. Extract the structure, the.. ISC

- [GitHub](https://github.com/mkdocstrings/griffe) (👨‍💻 46 · 🔀 63 · 📦 15K · 📋 300 - 9% open · ⏱️ 10.02.2026):

git clone https://github.com/mkdocstrings/griffe

- [PyPi](https://pypi.org/project/griffe) (📥 26M / month · 📦 440 · ⏱️ 09.02.2026):

pip install griffe

- [Conda](https://anaconda.org/conda-forge/griffe) (📥 790K · ⏱️ 23.02.2026):

conda install -c conda-forge griffe

sphinx-autodoc-typehints (🥈34 · ⭐ 580) - Type hints support for the Sphinx autodoc extension. MIT

- [GitHub](https://github.com/tox-dev/sphinx-autodoc-typehints) (👨‍💻 66 · 🔀 110 · 📦 60K · 📋 230 - 0% open · ⏱️ 04.03.2026):

git clone https://github.com/tox-dev/sphinx-autodoc-typehints

- [PyPi](https://pypi.org/project/sphinx-autodoc-typehints) (📥 6.6M / month · 📦 6.4K · ⏱️ 04.03.2026):

pip install sphinx-autodoc-typehints

- [Conda](https://anaconda.org/conda-forge/sphinx-autodoc-typehints) (📥 1M · ⏱️ 02.03.2026):

conda install -c conda-forge sphinx-autodoc-typehints

breathe (🥈31 · ⭐ 810) - ReStructuredText and Sphinx bridge to Doxygen. BSD-3

- [GitHub](https://github.com/breathe-doc/breathe) (👨‍💻 120 · 🔀 210 · 📥 800 · 📦 19K · 📋 620 - 30% open · ⏱️ 01.12.2025):

git clone https://github.com/michaeljones/breathe

- [PyPi](https://pypi.org/project/breathe) (📥 1.4M / month · 📦 130 · ⏱️ 08.07.2025):

pip install breathe

- [Conda](https://anaconda.org/conda-forge/breathe) (📥 1M · ⏱️ 22.04.2025):

conda install -c conda-forge breathe

pdoc3 (🥉28 · ⭐ 1.2K) - Auto-generate API documentation for Python projects. ❗️AGPL-3.0

- [GitHub](https://github.com/pdoc3/pdoc) (👨‍💻 69 · 🔀 140 · 📦 5.1K · 📋 340 - 30% open · ⏱️ 03.11.2025):

git clone https://github.com/pdoc3/pdoc

- [PyPi](https://pypi.org/project/pdoc3) (📥 560K / month · 📦 490 · ⏱️ 20.03.2025):

pip install pdoc3

- [Conda](https://anaconda.org/anaconda/pdoc3) (📥 2.6K · ⏱️ 17.10.2025):

conda install -c anaconda pdoc3

sphinx-autobuild (🥉28 · ⭐ 600) - Watch a Sphinx directory and rebuild the documentation.. MIT

- [GitHub](https://github.com/sphinx-doc/sphinx-autobuild) (👨‍💻 37 · 🔀 91 · 📦 31K · 📋 110 - 17% open · ⏱️ 16.12.2025):

git clone https://github.com/executablebooks/sphinx-autobuild

- [PyPi](https://pypi.org/project/sphinx-autobuild) (📥 5.9M / month · 📦 2.3K · ⏱️ 25.08.2025):

pip install sphinx-autobuild

- [Conda](https://anaconda.org/conda-forge/sphinx-autobuild) (📥 470K · ⏱️ 04.11.2025):

conda install -c conda-forge sphinx-autobuild

blacken-docs (🥉26 · ⭐ 680) - Run `black` on python code blocks in documentation files. MIT

- [GitHub](https://github.com/adamchainz/blacken-docs) (👨‍💻 26 · 🔀 45 · 📦 1.5K · 📋 81 - 11% open · ⏱️ 14.02.2026):

git clone https://github.com/asottile/blacken-docs

- [PyPi](https://pypi.org/project/blacken-docs) (📥 250K / month · 📦 120 · ⏱️ 08.09.2025):

pip install blacken-docs

- [Conda](https://anaconda.org/conda-forge/blacken-docs) (📥 59K · ⏱️ 08.09.2025):

conda install -c conda-forge blacken-docs

mkdocs-awesome-pages-plugin (🥉24 · ⭐ 620) - A plugin for customizing the navigation structure of.. MIT

- [GitHub](https://github.com/lukasgeiter/mkdocs-awesome-nav) (👨‍💻 11 · 🔀 41 · 📦 480 · 📋 120 - 19% open · ⏱️ 02.12.2025):

git clone https://github.com/lukasgeiter/mkdocs-awesome-pages-plugin

- [PyPi](https://pypi.org/project/mkdocs-awesome-pages-plugin) (📥 860K / month · 📦 220 · ⏱️ 22.12.2024):

pip install mkdocs-awesome-pages-plugin

lazydocs (🥉24 · ⭐ 240 · 💤) - Generate markdown API documentation from Google-style Python.. MIT

- [GitHub](https://github.com/ml-tooling/lazydocs) (👨‍💻 13 · 🔀 46 · 📦 400 · 📋 45 - 8% open · ⏱️ 28.08.2025):

git clone https://github.com/ml-tooling/lazydocs

- [PyPi](https://pypi.org/project/lazydocs) (📥 340K / month · 📦 65 · ⏱️ 27.07.2021):

pip install lazydocs

pytkdocs (🥉23 · ⭐ 54 · 💤) - Load Python objects documentation. ISC

- [GitHub](https://github.com/mkdocstrings/pytkdocs) (👨‍💻 23 · 🔀 30 · 📦 1.6K · 📋 100 - 5% open · ⏱️ 09.03.2025):

git clone https://github.com/mkdocstrings/pytkdocs

- [PyPi](https://pypi.org/project/pytkdocs) (📥 130K / month · 📦 22 · ⏱️ 09.03.2025):

pip install pytkdocs

- [Conda](https://anaconda.org/conda-forge/pytkdocs) (📥 220K · ⏱️ 22.04.2025):

conda install -c conda-forge pytkdocs

mkdocs-pdf-export-plugin (🥉22 · ⭐ 340) - An MkDocs plugin to export content pages as PDF files. MIT

- [GitHub](https://github.com/zhaoterryy/mkdocs-pdf-export-plugin) (👨‍💻 12 · 🔀 39 · 📦 1.5K · 📋 90 - 48% open · ⏱️ 08.10.2025):

git clone https://github.com/zhaoterryy/mkdocs-pdf-export-plugin

- [PyPi](https://pypi.org/project/mkdocs-pdf-export-plugin) (📥 42K / month · 📦 6 · ⏱️ 05.10.2021):

pip install mkdocs-pdf-export-plugin

mkdocs-print-site-plugin (🥉20 · ⭐ 180) - MkDocs Plugin that adds an additional page that.. MIT

- [GitHub](https://github.com/timvink/mkdocs-print-site-plugin) (👨‍💻 16 · 🔀 29 · 📋 110 - 11% open · ⏱️ 30.10.2025):

git clone https://github.com/timvink/mkdocs-print-site-plugin

- [PyPi](https://pypi.org/project/mkdocs-print-site-plugin) (📥 130K / month · 📦 22 · ⏱️ 03.08.2025):

pip install mkdocs-print-site-plugin

Show 13 hidden projects...

- sphinx (🥇41 · ⭐ 7.7K · 📉) - The Sphinx documentation generator. ❗Unlicensed - alabaster (🥈33 · ⭐ 760 · 💀) - Lightweight, configurable Sphinx theme. BSD-3 - pdoc (🥈32 · ⭐ 2.5K) - API Documentation for Python Projects. ❗️MIT-0 - numpydoc (🥈29 · ⭐ 340) - Numpys Sphinx extensions. ❗Unlicensed - interrogate (🥉27 · ⭐ 660 · 💀) - Explain yourself! Interrogate a codebase for docstring coverage. MIT - sphinx-bootstrap-theme (🥉26 · ⭐ 590 · 💀) - Sphinx Bootstrap Theme. MIT - sphinx-markdown-builder (🥉25 · ⭐ 160 · 💀) - DISCONTINUED: sphinx builder that outputs markdown.. MIT - mkdocs-with-pdf (🥉24 · ⭐ 390 · 💀) - Generate a single PDF file from MkDocs repository. MIT - portray (🥉23 · ⭐ 870 · 💀) - Your Project with Great Documentation. MIT - pycco (🥉22 · ⭐ 860 · 💀) - Literate-style documentation generator. MIT - releases (🥉22 · ⭐ 180 · 💀) - A powerful Sphinx changelog-generating extension. BSD-2 - mkdocs-git-revision-date-plugin (🥉21 · ⭐ 61 · 💀) - MkDocs plugin for setting revision date from git per.. MIT - mkdocs-versioning (🥉16 · ⭐ 40 · 💀) - A tool that allows for versioning sites built with.. MIT

Debugging Tools

icecream (🥇32 · ⭐ 10K) - Never use print() to debug again. MIT

- [GitHub](https://github.com/gruns/icecream) (👨‍💻 37 · 🔀 220 · 📦 21 · 📋 170 - 38% open · ⏱️ 21.01.2026):

git clone https://github.com/gruns/icecream

- [PyPi](https://pypi.org/project/icecream) (📥 2.5M / month · 📦 580 · ⏱️ 21.01.2026):

pip install icecream

- [Conda](https://anaconda.org/conda-forge/icecream) (📥 99K · ⏱️ 23.01.2026):

conda install -c conda-forge icecream

PySnooper (🥈31 · ⭐ 17K · 💤) - Never use print for debugging again. MIT

- [GitHub](https://github.com/cool-RR/PySnooper) (👨‍💻 29 · 🔀 950 · 📦 2.1K · 📋 140 - 21% open · ⏱️ 31.05.2025):

git clone https://github.com/cool-RR/PySnooper

- [PyPi](https://pypi.org/project/pysnooper) (📥 560K / month · 📦 67 · ⏱️ 31.05.2025):

pip install pysnooper

- [Conda](https://anaconda.org/conda-forge/pysnooper) (📥 150K · ⏱️ 22.04.2025):

conda install -c conda-forge pysnooper

pyelftools (🥈31 · ⭐ 2.2K) - Parsing ELF and DWARF in Python. Unlicense

- [GitHub](https://github.com/eliben/pyelftools) (👨‍💻 110 · 🔀 540 · 📦 12K · 📋 280 - 27% open · ⏱️ 01.12.2025):

git clone https://github.com/eliben/pyelftools

- [PyPi](https://pypi.org/project/pyelftools) (📥 10M / month · 📦 270 · ⏱️ 19.02.2025):

pip install pyelftools

- [Conda](https://anaconda.org/conda-forge/pyelftools) (📥 1.2M · ⏱️ 22.04.2025):

conda install -c conda-forge pyelftools

ipdb (🥈31 · ⭐ 2K) - Integration of IPython pdb. BSD-3

- [GitHub](https://github.com/gotcha/ipdb) (👨‍💻 60 · 🔀 150 · 📦 68K · 📋 210 - 36% open · ⏱️ 27.02.2026):

git clone https://github.com/gotcha/ipdb

- [PyPi](https://pypi.org/project/ipdb) (📥 14M / month · 📦 1.1K · ⏱️ 09.03.2023):

pip install ipdb

- [Conda](https://anaconda.org/conda-forge/ipdb) (📥 770K · ⏱️ 22.04.2025):

conda install -c conda-forge ipdb

gdbgui (🥉27 · ⭐ 10K · 💤) - Browser-based frontend to gdb (gnu debugger). Add breakpoints,.. ❗️GPL-3.0

- [GitHub](https://github.com/cs01/gdbgui) (👨‍💻 45 · 🔀 520 · 📥 20K · 📦 510 · 📋 340 - 49% open · ⏱️ 29.06.2025):

git clone https://github.com/cs01/gdbgui

- [PyPi](https://pypi.org/project/gdbgui) (📥 9K / month · 📦 2 · ⏱️ 29.06.2025):

pip install gdbgui

pyrasite (🥉23 · ⭐ 2.9K · 💤) - Inject code into running Python processes. ❗️GPL-3.0

- [GitHub](https://github.com/lmacken/pyrasite) (👨‍💻 25 · 🔀 200 · 📦 71 · 📋 60 - 71% open · ⏱️ 07.04.2025):

git clone https://github.com/lmacken/pyrasite

- [PyPi](https://pypi.org/project/pyrasite) (📥 77K / month · ⏱️ 09.05.2012):

pip install pyrasite

snoop (🥉23 · ⭐ 1.4K) - A powerful set of Python debugging tools, based on PySnooper. MIT

- [GitHub](https://github.com/alexmojaki/snoop) (👨‍💻 22 · 🔀 41 · 📋 57 - 45% open · ⏱️ 11.01.2026):

git clone https://github.com/alexmojaki/snoop

- [PyPi](https://pypi.org/project/snoop) (📥 240K / month · 📦 41 · ⏱️ 06.10.2024):

pip install snoop

- [Conda](https://anaconda.org/conda-forge/snoop) (📥 12K · ⏱️ 22.04.2025):

conda install -c conda-forge snoop

python-hunter (🥉23 · ⭐ 860 · 💤) - Hunter is a flexible code tracing toolkit. BSD-2

- [GitHub](https://github.com/ionelmc/python-hunter) (👨‍💻 10 · 🔀 51 · 📋 100 - 46% open · ⏱️ 22.08.2025):

git clone https://github.com/ionelmc/python-hunter

- [PyPi](https://pypi.org/project/hunter) (📥 1.1M / month · 📦 17 · ⏱️ 22.08.2025):

pip install hunter

- [Conda](https://anaconda.org/conda-forge/hunter) (📥 210K · ⏱️ 03.11.2025):

conda install -c conda-forge hunter

Birdseye (🥉21 · ⭐ 1.7K) - Graphical Python debugger which lets you easily view the values of all.. MIT

- [GitHub](https://github.com/alexmojaki/birdseye) (👨‍💻 10 · 🔀 73 · 📋 58 - 36% open · ⏱️ 06.09.2025):

git clone https://github.com/alexmojaki/birdseye

- [PyPi](https://pypi.org/project/birdseye) (📥 1.4K / month · 📦 9 · ⏱️ 06.09.2025):

pip install birdseye

Show 4 hidden projects...

- pudb (🥇33 · ⭐ 3.2K) - Full-screen console debugger for Python. ❗Unlicensed - pdbpp (🥉28 · ⭐ 1.4K · 💀) - pdb++, a drop-in replacement for pdb (the Python debugger). BSD-3 - python-manhole (🥉20 · ⭐ 400 · 💀) - Debugging manhole for python applications. BSD-2 - reloadium (🥉18 · ⭐ 3K · 💀) - Hot Reloading and Profiling for Python. Apache-2

Testing Tools

🔗 best-of-web-python - Testing ( ⭐ 2.7K) - Testing libraries & tools for python web frameworks.

🔗 unittest - Unittest is a test framework included in the Python standard library.

pytest (🥇49 · ⭐ 14K) - The pytest framework makes it easy to write small tests, yet scales to.. MIT

- [GitHub](https://github.com/pytest-dev/pytest) (👨‍💻 1.1K · 🔀 3K · 📥 29K · 📦 1.7M · 📋 6.4K - 15% open · ⏱️ 04.03.2026):

git clone https://github.com/pytest-dev/pytest

- [PyPi](https://pypi.org/project/pytest) (📥 510M / month · 📦 120K · ⏱️ 06.12.2025):

pip install pytest

- [Conda](https://anaconda.org/conda-forge/pytest) (📥 45M · ⏱️ 06.12.2025):

conda install -c conda-forge pytest

robotframework (🥇43 · ⭐ 11K) - Generic automation framework for acceptance testing and RPA. Apache-2

- [GitHub](https://github.com/robotframework/robotframework) (👨‍💻 220 · 🔀 2.5K · 📥 580 · 📦 14K · 📋 4.8K - 5% open · ⏱️ 03.03.2026):

git clone https://github.com/robotframework/robotframework

- [PyPi](https://pypi.org/project/robotframework) (📥 4.7M / month · 📦 1.1K · ⏱️ 03.03.2026):

pip install robotframework

- [Conda](https://anaconda.org/conda-forge/robotframework) (📥 260K · ⏱️ 04.03.2026):

conda install -c conda-forge robotframework

hypothesis (🥇42 · ⭐ 8.5K) - The property-based testing library for Python. MPL-2.0

- [GitHub](https://github.com/HypothesisWorks/hypothesis) (👨‍💻 360 · 🔀 630 · 📦 38K · 📋 1.7K - 3% open · ⏱️ 01.03.2026):

git clone https://github.com/HypothesisWorks/hypothesis

- [PyPi](https://pypi.org/project/hypothesis) (📥 24M / month · 📦 4K · ⏱️ 16.02.2026):

pip install hypothesis

- [Conda](https://anaconda.org/conda-forge/hypothesis) (📥 17M · ⏱️ 17.02.2026):

conda install -c conda-forge hypothesis

tox (🥇42 · ⭐ 3.9K) - Command line driven CI frontend and development task automation tool. MIT

- [GitHub](https://github.com/tox-dev/tox) (👨‍💻 340 · 🔀 550 · 📦 130K · 📋 1.9K - 0% open · ⏱️ 04.03.2026):

git clone https://github.com/tox-dev/tox

- [PyPi](https://pypi.org/project/tox) (📥 29M / month · 📦 13K · ⏱️ 04.03.2026):

pip install tox

- [Conda](https://anaconda.org/conda-forge/tox) (📥 1.7M · ⏱️ 01.03.2026):

conda install -c conda-forge tox

playwright-python (🥇40 · ⭐ 14K) - Python version of the Playwright testing and automation.. Apache-2

- [GitHub](https://github.com/microsoft/playwright-python) (👨‍💻 51 · 🔀 1.1K · 📦 51K · 📋 1.5K - 4% open · ⏱️ 11.02.2026):

git clone https://github.com/microsoft/playwright-python

- [PyPi](https://pypi.org/project/playwright) (📥 39M / month · 📦 3.7K · ⏱️ 30.01.2026):

pip install playwright

pytest-asyncio (🥇40 · ⭐ 1.6K) - Asyncio support for pytest. Apache-2

- [GitHub](https://github.com/pytest-dev/pytest-asyncio) (👨‍💻 77 · 🔀 180 · 📥 1.9K · 📦 180K · 📋 390 - 13% open · ⏱️ 02.03.2026):

git clone https://github.com/pytest-dev/pytest-asyncio

- [PyPi](https://pypi.org/project/pytest-asyncio) (📥 130M / month · 📦 15K · ⏱️ 10.11.2025):

pip install pytest-asyncio

- [Conda](https://anaconda.org/conda-forge/pytest-asyncio) (📥 3M · ⏱️ 10.11.2025):

conda install -c conda-forge pytest-asyncio

pytest-xdist (🥈38 · ⭐ 1.8K) - pytest plugin for distributed testing and loop-on-failures.. MIT

- [GitHub](https://github.com/pytest-dev/pytest-xdist) (👨‍💻 110 · 🔀 250 · 📥 400 · 📦 130K · 📋 700 - 42% open · ⏱️ 03.03.2026):

git clone https://github.com/pytest-dev/pytest-xdist

- [PyPi](https://pypi.org/project/pytest-xdist) (📥 87M / month · 📦 5.6K · ⏱️ 01.07.2025):

pip install pytest-xdist

- [Conda](https://anaconda.org/conda-forge/pytest-xdist) (📥 11M · ⏱️ 02.07.2025):

conda install -c conda-forge pytest-xdist

pytest-mock (🥈36 · ⭐ 2K · 📉) - Thin-wrapper around the mock package for easier use with.. MIT

- [GitHub](https://github.com/pytest-dev/pytest-mock) (👨‍💻 82 · 🔀 150 · 📥 160 · 📦 130K · 📋 170 - 8% open · ⏱️ 24.02.2026):

git clone https://github.com/pytest-dev/pytest-mock

- [PyPi](https://pypi.org/project/pytest-mock) (📥 76M / month · 📦 9.4K · ⏱️ 16.09.2025):

pip install pytest-mock

- [Conda](https://anaconda.org/conda-forge/pytest-mock) (📥 4.7M · ⏱️ 17.09.2025):

conda install -c conda-forge pytest-mock

pytest-cov (🥈35 · ⭐ 2K) - Coverage plugin for pytest. MIT

- [GitHub](https://github.com/pytest-dev/pytest-cov) (👨‍💻 100 · 🔀 230 · 📋 450 - 34% open · ⏱️ 02.03.2026):

git clone https://github.com/pytest-dev/pytest-cov

- [PyPi](https://pypi.org/project/pytest-cov) (📥 140M / month · 📦 48K · ⏱️ 09.09.2025):

pip install pytest-cov

- [Conda](https://anaconda.org/conda-forge/pytest-cov) (📥 17M · ⏱️ 11.09.2025):

conda install -c conda-forge pytest-cov

pytest-html (🥈35 · ⭐ 770) - Plugin for generating HTML reports for pytest results. MPL-2.0

- [GitHub](https://github.com/pytest-dev/pytest-html) (👨‍💻 65 · 🔀 250 · 📦 58K · 📋 450 - 41% open · ⏱️ 05.03.2026):

git clone https://github.com/pytest-dev/pytest-html

- [PyPi](https://pypi.org/project/pytest-html) (📥 19M / month · 📦 1.1K · ⏱️ 19.01.2026):

pip install pytest-html

- [Conda](https://anaconda.org/conda-forge/pytest-html) (📥 950K · ⏱️ 21.01.2026):

conda install -c conda-forge pytest-html

mimesis (🥈34 · ⭐ 4.8K) - Mimesis is a fast Python library for generating fake data in multiple.. MIT

- [GitHub](https://github.com/lk-geimfari/mimesis) (👨‍💻 130 · 🔀 350 · 📥 870 · 📦 2.3K · 📋 360 - 3% open · ⏱️ 18.01.2026):

git clone https://github.com/lk-geimfari/mimesis

- [PyPi](https://pypi.org/project/mimesis) (📥 1.8M / month · 📦 83 · ⏱️ 11.01.2026):

pip install mimesis

- [Conda](https://anaconda.org/conda-forge/mimesis) (📥 370K · ⏱️ 11.01.2026):

conda install -c conda-forge mimesis

nox (🥈34 · ⭐ 1.5K) - Flexible test automation for Python. Apache-2

- [GitHub](https://github.com/wntrblm/nox) (👨‍💻 120 · 🔀 180 · 📦 7.5K · 📋 440 - 15% open · ⏱️ 16.02.2026):

git clone https://github.com/theacodes/nox

- [PyPi](https://pypi.org/project/nox) (📥 5.2M / month · 📦 1.5K · ⏱️ 10.02.2026):

pip install nox

- [Conda](https://anaconda.org/conda-forge/nox) (📥 560K · ⏱️ 10.02.2026):

conda install -c conda-forge nox

pytest-bdd (🥈34 · ⭐ 1.4K) - BDD library for the pytest runner. MIT

- [GitHub](https://github.com/pytest-dev/pytest-bdd) (👨‍💻 65 · 🔀 230 · 📦 4.7K · 📋 380 - 22% open · ⏱️ 06.12.2025):

git clone https://github.com/pytest-dev/pytest-bdd

- [PyPi](https://pypi.org/project/pytest-bdd) (📥 2.2M / month · 📦 110 · ⏱️ 05.12.2024):

pip install pytest-bdd

- [Conda](https://anaconda.org/conda-forge/pytest-bdd) (📥 74K · ⏱️ 22.04.2025):

conda install -c conda-forge pytest-bdd

nose2 (🥈34 · ⭐ 820 · 📈) - The successor to nose, based on unittest2. BSD-2

- [GitHub](https://github.com/nose-devs/nose2) (👨‍💻 83 · 🔀 130 · 📦 27K · 📋 240 - 17% open · ⏱️ 02.03.2026):

git clone https://github.com/nose-devs/nose2

- [PyPi](https://pypi.org/project/nose2) (📥 600K / month · 📦 360 · ⏱️ 02.03.2026):

pip install nose2

- [Conda](https://anaconda.org/conda-forge/nose2) (📥 220K · ⏱️ 22.04.2025):

conda install -c conda-forge nose2

coveralls-python (🥈34 · ⭐ 570) - Show coverage stats online via coveralls.io. MIT

- [GitHub](https://github.com/TheKevJames/coveralls-python) (👨‍💻 66 · 🔀 190 · 📦 37K · 📋 180 - 4% open · ⏱️ 04.03.2026):

git clone https://github.com/TheKevJames/coveralls-python

- [PyPi](https://pypi.org/project/coveralls) (📥 1.4M / month · 📦 2.6K · ⏱️ 28.02.2026):

pip install coveralls

- [Conda](https://anaconda.org/conda-forge/coveralls) (📥 1.5M · ⏱️ 28.02.2026):

conda install -c conda-forge coveralls

freezegun (🥉32 · ⭐ 4.5K · 💤) - Let your Python tests travel through time. Apache-2

- [GitHub](https://github.com/spulec/freezegun) (👨‍💻 130 · 🔀 290 · 📥 170 · 📋 360 - 40% open · ⏱️ 19.08.2025):

git clone https://github.com/spulec/freezegun

- [PyPi](https://pypi.org/project/freezegun) (📥 39M / month · 📦 1.3K · ⏱️ 09.08.2025):

pip install freezegun

- [Conda](https://anaconda.org/conda-forge/freezegun) (📥 1.9M · ⏱️ 09.08.2025):

conda install -c conda-forge freezegun

pytest-sugar (🥉31 · ⭐ 1.5K) - a plugin for py.test that changes the default look and feel.. BSD-3

- [GitHub](https://github.com/Teemu/pytest-sugar) (👨‍💻 57 · 🔀 81 · 📥 53 · 📦 30K · 📋 130 - 25% open · ⏱️ 12.12.2025):

git clone https://github.com/Teemu/pytest-sugar

- [PyPi](https://pypi.org/project/pytest-sugar) (📥 5.6M / month · 📦 1.5K · ⏱️ 23.08.2025):

pip install pytest-sugar

- [Conda](https://anaconda.org/conda-forge/pytest-sugar) (📥 460K · ⏱️ 24.08.2025):

conda install -c conda-forge pytest-sugar

pytest-benchmark (🥉31 · ⭐ 1.4K) - pytest fixture for benchmarking code. BSD-2

- [GitHub](https://github.com/ionelmc/pytest-benchmark) (👨‍💻 53 · 🔀 130 · 📋 220 - 55% open · ⏱️ 16.02.2026):

git clone https://github.com/ionelmc/pytest-benchmark

- [PyPi](https://pypi.org/project/pytest-benchmark) (📥 9.2M / month · 📦 1.9K · ⏱️ 09.11.2025):

pip install pytest-benchmark

- [Conda](https://anaconda.org/conda-forge/pytest-benchmark) (📥 2.9M · ⏱️ 09.11.2025):

conda install -c conda-forge pytest-benchmark

factory_boy (🥉30 · ⭐ 3.8K) - A test fixtures replacement for Python. MIT

- [GitHub](https://github.com/FactoryBoy/factory_boy) (👨‍💻 130 · 🔀 400 · 📋 630 - 30% open · ⏱️ 14.12.2025):

git clone https://github.com/FactoryBoy/factory_boy

- [PyPi](https://pypi.org/project/factory_boy) (📥 18M / month · 📦 650 · ⏱️ 03.02.2025):

pip install factory_boy

- [Conda](https://anaconda.org/conda-forge/factory_boy) (📥 290K · ⏱️ 25.04.2025):

conda install -c conda-forge factory_boy

pytest-testinfra (🥉30 · ⭐ 2.5K · 💤) - Testinfra test your infrastructures. Apache-2

- [GitHub](https://github.com/pytest-dev/pytest-testinfra) (👨‍💻 140 · 🔀 360 · 📦 2.6K · 📋 380 - 38% open · ⏱️ 12.08.2025):

git clone https://github.com/pytest-dev/pytest-testinfra

- [PyPi](https://pypi.org/project/pytest-testinfra) (📥 850K / month · 📦 20 · ⏱️ 30.03.2025):

pip install pytest-testinfra

- [Conda](https://anaconda.org/conda-forge/pytest-testinfra) (📥 37K · ⏱️ 22.04.2025):

conda install -c conda-forge pytest-testinfra

asv (🥉30 · ⭐ 990 · 📉) - Airspeed Velocity: A simple Python benchmarking tool with web-based.. BSD-3

- [GitHub](https://github.com/airspeed-velocity/asv) (👨‍💻 96 · 🔀 200 · 📥 2.1K · 📦 1.6K · 📋 680 - 24% open · ⏱️ 19.12.2025):

git clone https://github.com/airspeed-velocity/asv

- [PyPi](https://pypi.org/project/asv) (📥 320K / month · 📦 160 · ⏱️ 13.09.2025):

pip install asv

- [Conda](https://anaconda.org/conda-forge/asv) (📥 1.3M · ⏱️ 07.12.2025):

conda install -c conda-forge asv

pytest-testmon (🥉27 · ⭐ 950) - Selects tests affected by changed files. Executes the right.. MIT

- [GitHub](https://github.com/tarpas/pytest-testmon) (👨‍💻 29 · 🔀 74 · 📦 1.6K · 📋 180 - 20% open · ⏱️ 01.12.2025):

git clone https://github.com/tarpas/pytest-testmon

- [PyPi](https://pypi.org/project/pytest-testmon) (📥 1.7M / month · 📦 59 · ⏱️ 01.12.2025):

pip install pytest-testmon

- [Conda](https://anaconda.org/conda-forge/pytest-testmon) (📥 120K · ⏱️ 22.04.2025):

conda install -c conda-forge pytest-testmon

pytest-randomly (🥉27 · ⭐ 700) - Pytest plugin to randomly order tests and control random.seed. MIT

- [GitHub](https://github.com/pytest-dev/pytest-randomly) (👨‍💻 20 · 🔀 32 · 📦 12K · 📋 76 - 11% open · ⏱️ 14.02.2026):

git clone https://github.com/pytest-dev/pytest-randomly

- [PyPi](https://pypi.org/project/pytest-randomly) (📥 5.3M / month · 📦 770 · ⏱️ 12.09.2025):

pip install pytest-randomly

- [Conda](https://anaconda.org/conda-forge/pytest-randomly) (📥 370K · ⏱️ 22.04.2025):

conda install -c conda-forge pytest-randomly

pytest-docker (🥉26 · ⭐ 480) - Docker-based integration tests. MIT

- [GitHub](https://github.com/avast/pytest-docker) (👨‍💻 30 · 🔀 77 · 📥 250 · 📦 2.5K · 📋 62 - 33% open · ⏱️ 12.11.2025):

git clone https://github.com/avast/pytest-docker

- [PyPi](https://pypi.org/project/pytest-docker) (📥 1.3M / month · 📦 150 · ⏱️ 12.11.2025):

pip install pytest-docker

pytest-mypy (🥉26 · ⭐ 260 · 💤) - Mypy static type checker plugin for Pytest. MIT

- [GitHub](https://github.com/realpython/pytest-mypy) (👨‍💻 16 · 🔀 33 · 📦 4.7K · 📋 72 - 9% open · ⏱️ 02.04.2025):

git clone https://github.com/dbader/pytest-mypy

- [PyPi](https://pypi.org/project/pytest-mypy) (📥 510K / month · 📦 780 · ⏱️ 02.04.2025):

pip install pytest-mypy

- [Conda](https://anaconda.org/conda-forge/pytest-mypy) (📥 120K · ⏱️ 22.04.2025):

conda install -c conda-forge pytest-mypy

pytest-datadir (🥉25 · ⭐ 270) - pytest plugin for manipulating test data directories and.. MIT

- [GitHub](https://github.com/gabrielcnr/pytest-datadir) (👨‍💻 16 · 🔀 25 · 📥 88 · 📦 2.2K · 📋 23 - 13% open · ⏱️ 23.02.2026):

git clone https://github.com/gabrielcnr/pytest-datadir

- [PyPi](https://pypi.org/project/pytest-datadir) (📥 1.2M / month · 📦 270 · ⏱️ 30.07.2025):

pip install pytest-datadir

- [Conda](https://anaconda.org/conda-forge/pytest-datadir) (📥 420K · ⏱️ 30.07.2025):

conda install -c conda-forge pytest-datadir

xdoctest (🥉24 · ⭐ 220) - A rewrite of Pythons builtin doctest module (with pytest plugin.. Apache-2

- [GitHub](https://github.com/Erotemic/xdoctest) (👨‍💻 13 · 🔀 18 · 📥 270 · 📋 57 - 38% open · ⏱️ 01.03.2026):

git clone https://github.com/Erotemic/xdoctest

- [PyPi](https://pypi.org/project/xdoctest) (📥 650K / month · 📦 240 · ⏱️ 08.09.2025):

pip install xdoctest

- [Conda](https://anaconda.org/conda-forge/xdoctest) (📥 270K · ⏱️ 21.11.2025):

conda install -c conda-forge xdoctest

Show 14 hidden projects...

- pyautogui (🥈35 · ⭐ 12K · 💀) - A cross-platform GUI automation Python module for human beings... BSD-3 - nose (🥈33 · ⭐ 1.4K · 💀) - nose is nicer testing for python. ❗️LGPL-2.1+ - green (🥉28 · ⭐ 810 · 💀) - Green is a clean, colorful, fast python test runner. MIT - PyHamcrest (🥉28 · ⭐ 800) - Hamcrest matchers for Python. ❗Unlicensed - uiautomator (🥉27 · ⭐ 2.1K · 💀) - Python wrapper of Android uiautomator test tool. MIT - ddt (🥉27 · ⭐ 440 · 💀) - Data-Driven Tests for Python Unittest. MIT - pytest-watch (🥉26 · ⭐ 760 · 💀) - Local continuous test runner with pytest and watchdog. MIT - pytest-lazy-fixture (🥉24 · ⭐ 400 · 💀) - It helps to use fixtures in pytest.mark.parametrize. MIT - sixpack (🥉23 · ⭐ 1.8K · 💀) - Sixpack is a language-agnostic a/b-testing framework. BSD-2 - pytest-plugins (🥉23 · ⭐ 600 · 💀) - A grab-bag of nifty pytest plugins. MIT - Mamba Test Runner (🥉22 · ⭐ 540 · 💀) - The definitive testing tool for Python. Born under the.. MIT - assertpy (🥉21 · ⭐ 520 · 💀) - Simple assertion library for unit testing in python with a fluent.. BSD-3 - fake2db (🥉18 · ⭐ 2.4K · 💀) - create custom test databases that are populated with fake data. ❗️GPL-2.0 - pytest-play (🥉16 · ⭐ 71 · 💀) - pytest plugin that let you automate actions and.. Apache-2

Code Packaging

🔗 Python.org Packaging - An Overview of Packaging for Python.

pyinstaller (🥇44 · ⭐ 13K) - Freeze (package) Python programs into stand-alone executables. ❗️GPL-2.0

- [GitHub](https://github.com/pyinstaller/pyinstaller) (👨‍💻 490 · 🔀 2K · 📥 750K · 📦 87K · 📋 5.6K - 5% open · ⏱️ 04.03.2026):

git clone https://github.com/pyinstaller/pyinstaller

- [PyPi](https://pypi.org/project/pyinstaller) (📥 6.7M / month · 📦 1.7K · ⏱️ 14.02.2026):

pip install pyinstaller

- [Conda](https://anaconda.org/conda-forge/pyinstaller) (📥 1.7M · ⏱️ 18.02.2026):

conda install -c conda-forge pyinstaller

Nuitka (🥇40 · ⭐ 15K) - Nuitka is a Python compiler written in Python. Its fully compatible.. ❗️AGPL-3.0

- [GitHub](https://github.com/Nuitka/Nuitka) (👨‍💻 200 · 🔀 760 · 📦 3.7K · 📋 2.8K - 6% open · ⏱️ 03.03.2026):

git clone https://github.com/Nuitka/Nuitka

- [PyPi](https://pypi.org/project/nuitka) (📥 1.2M / month · 📦 200 · ⏱️ 03.03.2026):

pip install nuitka

- [Conda](https://anaconda.org/conda-forge/nuitka) (📥 2.8M · ⏱️ 15.02.2026):

conda install -c conda-forge nuitka

pex (🥈35 · ⭐ 4.2K) - A tool for generating .pex (Python EXecutable) files, lock files and venvs. Apache-2

- [GitHub](https://github.com/pex-tool/pex) (👨‍💻 120 · 🔀 310 · 📥 240K · 📋 1.2K - 4% open · ⏱️ 04.03.2026):

git clone https://github.com/pantsbuild/pex

- [PyPi](https://pypi.org/project/pex) (📥 4.3M / month · 📦 64 · ⏱️ 01.03.2026):

pip install pex

briefcase (🥈34 · ⭐ 3.2K) - Tools to support converting a Python project into a standalone.. BSD-3

- [GitHub](https://github.com/beeware/briefcase) (👨‍💻 200 · 🔀 480 · 📥 1.1K · 📦 850 · 📋 1K - 18% open · ⏱️ 05.03.2026):

git clone https://github.com/beeware/briefcase

- [PyPi](https://pypi.org/project/briefcase) (📥 46K / month · 📦 42 · ⏱️ 05.03.2026):

pip install briefcase

cx_Freeze (🥈30 · ⭐ 1.5K) - Creates standalone executables from Python scripts with the.. ❗Unlicensed

- [GitHub](https://github.com/marcelotduarte/cx_Freeze) (👨‍💻 120 · 🔀 240 · 📋 1.1K - 4% open · ⏱️ 04.03.2026):

git clone https://github.com/marcelotduarte/cx_Freeze

- [PyPi](https://pypi.org/project/cx_freeze) (📥 180K / month · 📦 140 · ⏱️ 20.02.2026):

pip install cx_freeze

- [Conda](https://anaconda.org/conda-forge/cx_freeze) (📥 1.3M · ⏱️ 20.02.2026):

conda install -c conda-forge cx_freeze

py2app (🥉28 · ⭐ 420) - py2app is a Python setuptools command which will allow you to make.. MIT

- [GitHub](https://github.com/ronaldoussoren/py2app) (👨‍💻 31 · 🔀 43 · 📦 5.5K · 📋 540 - 41% open · ⏱️ 25.01.2026):

git clone https://github.com/ronaldoussoren/py2app

- [PyPi](https://pypi.org/project/py2app) (📥 53K / month · 📦 42 · ⏱️ 13.02.2026):

pip install py2app

constructor (🥉27 · ⭐ 500) - tool for creating installers from conda packages. BSD-3

- [GitHub](https://github.com/conda/constructor) (👨‍💻 78 · 🔀 180 · 📥 290 · 📦 27 · 📋 440 - 9% open · ⏱️ 03.03.2026):

git clone https://github.com/conda/constructor

- [Conda](https://anaconda.org/anaconda/constructor) (📥 37K · ⏱️ 04.03.2026):

conda install -c anaconda constructor

py2exe (🥉26 · ⭐ 990 · 💤) - Create standalone Windows programs from Python code. MIT

- [GitHub](https://github.com/py2exe/py2exe) (👨‍💻 24 · 🔀 100 · 📥 25K · 📦 2.2K · 📋 190 - 14% open · ⏱️ 15.07.2025):

git clone https://github.com/py2exe/py2exe

- [PyPi](https://pypi.org/project/py2exe) (📥 16K / month · 📦 11 · ⏱️ 16.07.2025):

pip install py2exe

shiv (🥉24 · ⭐ 1.9K) - shiv is a command line utility for building fully self contained Python.. BSD-2

- [GitHub](https://github.com/linkedin/shiv) (👨‍💻 44 · 🔀 110 · 📥 2.6K · 📋 150 - 44% open · ⏱️ 10.01.2026):

git clone https://github.com/linkedin/shiv

- [PyPi](https://pypi.org/project/shiv) (📥 140K / month · 📦 16 · ⏱️ 01.11.2024):

pip install shiv

Show 6 hidden projects...

- packaging (🥈39 · ⭐ 710) - Core utilities for Python packages. ❗Unlicensed - PyOxidizer (🥉27 · ⭐ 6.1K · 💀) - A modern Python application packaging and distribution tool. MPL-2.0 - pynsist (🥉23 · ⭐ 980 · 💀) - Build Windows installers for Python applications. MIT - xar (🥉21 · ⭐ 1.6K · 💀) - executable archive format. BSD-3 - pyship (🥉16 · ⭐ 44) - pyship - ship Python desktop apps to end users. MIT - subpar (🥉13 · ⭐ 570 · 💀) - Subpar is a utility for creating self-contained python.. Apache-2

Build Tools

setuptools (🥇46 · ⭐ 2.8K) - Official project repository for the Setuptools build system. MIT

- [GitHub](https://github.com/pypa/setuptools) (👨‍💻 640 · 🔀 1.4K · 📦 840K · 📋 2.8K - 22% open · ⏱️ 02.03.2026):

git clone https://github.com/pypa/setuptools

- [PyPi](https://pypi.org/project/setuptools) (📥 1.3B / month · 📦 31K · ⏱️ 08.02.2026):

pip install setuptools

- [Conda](https://anaconda.org/conda-forge/setuptools) (📥 190M · ⏱️ 09.02.2026):

conda install -c conda-forge setuptools

scons (🥇39 · ⭐ 2.4K) - SCons - a software construction tool. MIT

- [GitHub](https://github.com/SCons/scons) (👨‍💻 170 · 🔀 340 · 📥 2K · 📦 4.2K · 📋 3.5K - 18% open · ⏱️ 22.02.2026):

git clone https://github.com/SCons/scons

- [PyPi](https://pypi.org/project/scons) (📥 940K / month · 📦 58 · ⏱️ 16.11.2025):

pip install scons

- [Conda](https://anaconda.org/conda-forge/scons) (📥 1.3M · ⏱️ 17.11.2025):

conda install -c conda-forge scons

wheel (🥇39 · ⭐ 550) - The official binary distribution format for Python. MIT

- [GitHub](https://github.com/pypa/wheel) (👨‍💻 88 · 🔀 170 · 📦 380K · 📋 420 - 3% open · ⏱️ 03.03.2026):

git clone https://github.com/pypa/wheel

- [PyPi](https://pypi.org/project/wheel) (📥 470M / month · 📦 16K · ⏱️ 22.01.2026):

pip install wheel

- [Conda](https://anaconda.org/conda-forge/wheel) (📥 160M · ⏱️ 23.01.2026):

conda install -c conda-forge wheel

twine (🥈38 · ⭐ 1.8K) - Utilities for interacting with PyPI. Apache-2

- [GitHub](https://github.com/pypa/twine) (👨‍💻 130 · 🔀 320 · 📥 120 · 📦 130K · 📋 560 - 10% open · ⏱️ 02.03.2026):

git clone https://github.com/pypa/twine

- [PyPi](https://pypi.org/project/twine) (📥 25M / month · 📦 23K · ⏱️ 04.09.2025):

pip install twine

- [Conda](https://anaconda.org/conda-forge/twine) (📥 1.6M · ⏱️ 04.09.2025):

conda install -c conda-forge twine

setuptools_scm (🥈37 · ⭐ 940 · 📈) - the blessed package to manage your versions by scm tags. MIT

- [GitHub](https://github.com/pypa/setuptools-scm) (👨‍💻 160 · 🔀 230 · 📥 670 · 📦 33K · 📋 650 - 6% open · ⏱️ 25.02.2026):

git clone https://github.com/pypa/setuptools_scm

- [PyPi](https://pypi.org/project/setuptools_scm) (📥 120M / month · 📦 2.3K · ⏱️ 19.10.2025):

pip install setuptools_scm

- [Conda](https://anaconda.org/conda-forge/setuptools_scm) (📥 6.5M · ⏱️ 20.10.2025):

conda install -c conda-forge setuptools_scm

invoke (🥈36 · ⭐ 4.7K) - Pythonic task management & command execution. BSD-2

- [GitHub](https://github.com/pyinvoke/invoke) (👨‍💻 62 · 🔀 380 · 📦 32K · 📋 840 - 51% open · ⏱️ 20.10.2025):

git clone https://github.com/pyinvoke/invoke

- [PyPi](https://pypi.org/project/invoke) (📥 66M / month · 📦 1.2K · ⏱️ 11.10.2025):

pip install invoke

- [Conda](https://anaconda.org/conda-forge/invoke) (📥 2M · ⏱️ 11.10.2025):

conda install -c conda-forge invoke

buildbot (🥉35 · ⭐ 5.4K) - Python-based continuous integration testing framework; your pull.. ❗️GPL-2.0

- [GitHub](https://github.com/buildbot/buildbot) (👨‍💻 900 · 🔀 1.6K · 📥 100K · 📦 410 · 📋 1.8K - 41% open · ⏱️ 04.03.2026):

git clone https://github.com/buildbot/buildbot

- [PyPi](https://pypi.org/project/buildbot) (📥 40K / month · 📦 20 · ⏱️ 12.05.2025):

pip install buildbot

- [Conda](https://anaconda.org/conda-forge/buildbot) (📥 170K · ⏱️ 13.05.2025):

conda install -c conda-forge buildbot

doit (🥉34 · ⭐ 2K) - CLI task management & automation tool. MIT

- [GitHub](https://github.com/pydoit/doit) (👨‍💻 70 · 🔀 190 · 📦 2.2K · 📋 320 - 29% open · ⏱️ 12.02.2026):

git clone https://github.com/pydoit/doit

- [PyPi](https://pypi.org/project/doit) (📥 680K / month · 📦 140 · ⏱️ 09.02.2026):

pip install doit

- [Conda](https://anaconda.org/conda-forge/doit) (📥 480K · ⏱️ 09.02.2026):

conda install -c conda-forge doit

flit (🥉33 · ⭐ 2.2K) - Simplified packaging of Python modules. BSD-3

- [GitHub](https://github.com/pypa/flit) (👨‍💻 82 · 🔀 150 · 📦 2.7K · 📋 440 - 29% open · ⏱️ 12.02.2026):

git clone https://github.com/pypa/flit

- [PyPi](https://pypi.org/project/flit) (📥 10M / month · 📦 930 · ⏱️ 25.03.2025):

pip install flit

- [Conda](https://anaconda.org/conda-forge/flit) (📥 360K · ⏱️ 22.04.2025):

conda install -c conda-forge flit

pybuilder (🥉27 · ⭐ 2K) - Software build automation tool for Python. Apache-2

- [GitHub](https://github.com/pybuilder/pybuilder) (👨‍💻 39 · 🔀 270 · 📋 530 - 19% open · ⏱️ 13.02.2026):

git clone https://github.com/pybuilder/pybuilder

- [PyPi](https://pypi.org/project/pybuilder) (📥 60K / month · 📦 6 · ⏱️ 13.02.2026):

pip install pybuilder

- [Conda](https://anaconda.org/conda-forge/pybuilder) (📥 350K · ⏱️ 13.02.2026):

conda install -c conda-forge pybuilder

universal-build (🥉14 · ⭐ 26 · 💀) - Universal build utilities for containerized build pipelines. MIT

- [GitHub](https://github.com/ml-tooling/universal-build) (👨‍💻 5 · 🔀 8 · 📥 23 · 📋 4 - 25% open · ⏱️ 15.09.2022):

git clone https://github.com/ml-tooling/universal-build

- [PyPi](https://pypi.org/project/universal-build) (📥 290 / month · 📦 7 · ⏱️ 16.11.2021):

pip install universal-build

Show 3 hidden projects...

- buildout (🥉28 · ⭐ 610) - Buildout is a deployment automation tool written in and extended.. ❗️ZPL-2.1 - paver (🥉22 · ⭐ 460 · 💀) - Python-based project scripting. BSD-3 - pynt (🥉17 · ⭐ 160 · 💀) - A pynt of Python build. MIT

System Monitoring & Profiling

psutil (🥇47 · ⭐ 11K) - Cross-platform lib for process and system monitoring in Python. BSD-3

- [GitHub](https://github.com/giampaolo/psutil) (👨‍💻 230 · 🔀 1.5K · 📦 770K · 📋 1.9K - 18% open · ⏱️ 05.03.2026):

git clone https://github.com/giampaolo/psutil

- [PyPi](https://pypi.org/project/psutil) (📥 280M / month · 📦 20K · ⏱️ 28.01.2026):

pip install psutil

- [Conda](https://anaconda.org/conda-forge/psutil) (📥 58M · ⏱️ 29.01.2026):

conda install -c conda-forge psutil

memray (🥈36 · ⭐ 15K) - Memray is a memory profiler for Python. Apache-2

- [GitHub](https://github.com/bloomberg/memray) (👨‍💻 61 · 🔀 430 · 📦 1.9K · 📋 260 - 17% open · ⏱️ 28.02.2026):

git clone https://github.com/bloomberg/memray

- [PyPi](https://pypi.org/project/memray) (📥 13M / month · 📦 110 · ⏱️ 16.10.2025):

pip install memray

- [Conda](https://anaconda.org/conda-forge/memray) (📥 620K · ⏱️ 15.12.2025):

conda install -c conda-forge memray

Scalene (🥈35 · ⭐ 13K) - Scalene: a high-performance, high-precision CPU, GPU, and memory.. Apache-2

- [GitHub](https://github.com/plasma-umass/scalene) (👨‍💻 60 · 🔀 430 · 📦 970 · 📋 520 - 30% open · ⏱️ 04.03.2026):

git clone https://github.com/plasma-umass/scalene

- [PyPi](https://pypi.org/project/scalene) (📥 380K / month · 📦 63 · ⏱️ 31.01.2026):

pip install scalene

pyinstrument (🥈35 · ⭐ 7.7K) - Call stack profiler for Python. Shows you why your code is slow!. BSD-3

- [GitHub](https://github.com/joerick/pyinstrument) (👨‍💻 76 · 🔀 260 · 📦 4.1K · 📋 190 - 14% open · ⏱️ 06.01.2026):

git clone https://github.com/joerick/pyinstrument

- [PyPi](https://pypi.org/project/pyinstrument) (📥 11M / month · 📦 240 · ⏱️ 04.01.2026):

pip install pyinstrument

- [Conda](https://anaconda.org/conda-forge/pyinstrument) (📥 1.1M · ⏱️ 04.01.2026):

conda install -c conda-forge pyinstrument

py-spy (🥈34 · ⭐ 15K · 💤) - Sampling profiler for Python programs. MIT

- [GitHub](https://github.com/benfred/py-spy) (👨‍💻 53 · 🔀 500 · 📥 50K · 📦 7.9K · 📋 450 - 49% open · ⏱️ 18.08.2025):

git clone https://github.com/benfred/py-spy

- [PyPi](https://pypi.org/project/py-spy) (📥 16M / month · 📦 110 · ⏱️ 31.07.2025):

pip install py-spy

- [Conda](https://anaconda.org/conda-forge/py-spy) (📥 780K · ⏱️ 01.08.2025):

conda install -c conda-forge py-spy

- [Cargo](https://crates.io/crates/py-spy) (📥 7.6K / month · 📦 4 · ⏱️ 31.07.2025):

cargo install py-spy

Yappi (🥈31 · ⭐ 1.7K) - Yet Another Python Profiler, but this time multithreading, asyncio and.. MIT

- [GitHub](https://github.com/sumerc/yappi) (👨‍💻 35 · 🔀 78 · 📦 1.7K · 📋 100 - 24% open · ⏱️ 26.02.2026):

git clone https://github.com/sumerc/yappi

- [PyPi](https://pypi.org/project/yappi) (📥 3.3M / month · 📦 74 · ⏱️ 24.10.2025):

pip install yappi

- [Conda](https://anaconda.org/conda-forge/yappi) (📥 360K · ⏱️ 28.10.2025):

conda install -c conda-forge yappi

Bpytop (🥉29 · ⭐ 11K · 💤) - Linux/OSX/FreeBSD resource monitor. Apache-2

- [GitHub](https://github.com/aristocratos/bpytop) (👨‍💻 36 · 🔀 430 · 📦 240 · 📋 320 - 28% open · ⏱️ 01.06.2025):

git clone https://github.com/aristocratos/bpytop

- [PyPi](https://pypi.org/project/bpytop) (📥 9.7K / month · 📦 1 · ⏱️ 22.12.2021):

pip install bpytop

- [Conda](https://anaconda.org/conda-forge/bpytop) (📥 27K · ⏱️ 22.04.2025):

conda install -c conda-forge bpytop

line_profiler (🥉29 · ⭐ 3.2K) - Line-by-line profiling for Python. BSD-3

- [GitHub](https://github.com/pyutils/line_profiler) (👨‍💻 53 · 🔀 130 · 📥 2.1K · 📋 140 - 37% open · ⏱️ 18.02.2026):

git clone https://github.com/pyutils/line_profiler

- [PyPi](https://pypi.org/project/line_profiler) (📥 3.1M / month · 📦 400 · ⏱️ 23.02.2026):

pip install line_profiler

- [Conda](https://anaconda.org/conda-forge/line_profiler) (📥 4.8M · ⏱️ 24.02.2026):

conda install -c conda-forge line_profiler

pympler (🥉27 · ⭐ 1.4K · 💤) - Development tool to measure, monitor and analyze the memory.. Apache-2

- [GitHub](https://github.com/pympler/pympler) (👨‍💻 30 · 🔀 89 · 📋 120 - 51% open · ⏱️ 07.06.2025):

git clone https://github.com/pympler/pympler

- [PyPi](https://pypi.org/project/pympler) (📥 6.5M / month · 📦 260 · ⏱️ 28.06.2024):

pip install pympler

- [Conda](https://anaconda.org/conda-forge/pympler) (📥 660K · ⏱️ 22.04.2025):

conda install -c conda-forge pympler

Show 9 hidden projects...

- Glances (🥇38 · ⭐ 32K) - Glances an Eye on your system. A top/htop alternative for.. ❗Unlicensed - memory-profiler (🥉29 · ⭐ 4.6K · 💀) - Monitor Memory usage of Python code. BSD-3 - Diamond (🥉28 · ⭐ 1.8K · 💀) - Diamond is a python daemon that collects system metrics and publishes.. MIT - memory_profiler (🥉27 · ⭐ 4.5K · 💀) - Monitor Memory usage of Python code. BSD-3 - vprof (🥉24 · ⭐ 4K · 💀) - Visual profiler for Python. BSD-2 - Profiling (🥉21 · ⭐ 3K · 💀) - Was an interactive continuous Python profiler. BSD-3 - heartrate (🥉19 · ⭐ 1.8K · 💀) - Simple real time visualisation of the execution of a Python program. MIT - pyheat (🥉18 · ⭐ 840 · 💀) - pprofile + matplotlib = Python program profiled as an awesome heatmap!. MIT - livepython (🥉12 · ⭐ 2.6K · 💀) - Visually trace Python code in real-time. MIT

AST Tools

executing (🥇30 · ⭐ 380 · 💤) - Get information about what a Python frame is currently doing,.. MIT

- [GitHub](https://github.com/alexmojaki/executing) (👨‍💻 11 · 🔀 38 · 📦 330K · 📋 52 - 36% open · ⏱️ 31.08.2025):

git clone https://github.com/alexmojaki/executing

- [PyPi](https://pypi.org/project/executing) (📥 97M / month · 📦 800 · ⏱️ 01.09.2025):

pip install executing

- [Conda](https://anaconda.org/conda-forge/executing) (📥 25M · ⏱️ 01.09.2025):

conda install -c conda-forge executing

astor (🥈29 · ⭐ 860) - Python AST read/write. BSD-3

- [GitHub](https://github.com/berkerpeksag/astor) (👨‍💻 35 · 🔀 110 · 📋 130 - 24% open · ⏱️ 17.02.2026):

git clone https://github.com/berkerpeksag/astor

- [PyPi](https://pypi.org/project/astor) (📥 12M / month · 📦 620 · ⏱️ 10.12.2019):

pip install astor

- [Conda](https://anaconda.org/conda-forge/astor) (📥 2.8M · ⏱️ 22.04.2025):

conda install -c conda-forge astor

gast (🥈28 · ⭐ 150) - Python AST that abstracts the underlying Python version. BSD-3

- [GitHub](https://github.com/serge-sans-paille/gast) (👨‍💻 11 · 🔀 38 · 📦 220K · ⏱️ 29.11.2025):

git clone https://github.com/serge-sans-paille/gast

- [PyPi](https://pypi.org/project/gast) (📥 19M / month · 📦 530 · ⏱️ 29.11.2025):

pip install gast

- [Conda](https://anaconda.org/conda-forge/gast) (📥 3.9M · ⏱️ 30.11.2025):

conda install -c conda-forge gast

asteval (🥉27 · ⭐ 210) - minimalistic evaluator of python expression using ast module. MIT

- [GitHub](https://github.com/newville/asteval) (👨‍💻 27 · 🔀 47 · ⏱️ 17.12.2025):

git clone https://github.com/newville/asteval

- [PyPi](https://pypi.org/project/asteval) (📥 3.8M / month · 📦 190 · ⏱️ 17.12.2025):

pip install asteval

- [Conda](https://anaconda.org/conda-forge/asteval) (📥 860K · ⏱️ 18.12.2025):

conda install -c conda-forge asteval

Show 2 hidden projects...

- astunparse (🥈28 · ⭐ 230 · 💀) - An AST unparser for Python. BSD-3 - typed_ast (🥉26 · ⭐ 230 · 💀) - Modified fork of CPythons ast module that parses `# type:`.. Apache-2

Others

pre-commit (🥇41 · ⭐ 15K) - A framework for managing and maintaining multi-language pre-commit.. MIT

- [GitHub](https://github.com/pre-commit/pre-commit) (👨‍💻 170 · 🔀 930 · 📥 5.1M · 📦 270K · 📋 2.3K - 1% open · ⏱️ 22.12.2025):

git clone https://github.com/pre-commit/pre-commit

- [PyPi](https://pypi.org/project/pre-commit) (📥 100M / month · 📦 26K · ⏱️ 16.12.2025):

pip install pre-commit

- [Conda](https://anaconda.org/conda-forge/pre-commit) (📥 9M · ⏱️ 17.12.2025):

conda install -c conda-forge pre-commit

Best-of lists: Discover other best-of lists with awesome open-source projects on all kinds of topics.

Contribution

Contributions are encouraged and always welcome! If you like to add or update projects, choose one of the following ways:

Open an issue by selecting one of the provided categories from the issue page and fill in the requested information.
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License

Credit by: @github.com/ml-tooling/best-of-python-dev

September 25, 2024
in Science, ML, Python
67 min read

Best of Atomistic Machine Learning

Best of Atomistic Machine Learning ⚛️🧬💎

🏆 A ranked list of awesome atomistic machine learning (AML) projects. Updated regularly.

This curated list contains 510 awesome open-source projects with a total of 240K stars grouped into 23 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an issue, submit a pull request, or directly edit the projects.yaml.

The current focus of this list is more on simulation data rather than experimental data, and more on materials rather than drug design. Nevertheless, contributions from other fields are warmly welcome!

How to cite. See the button "Cite this repository" on the right side-bar.

🧙‍♂️ Discover other best-of lists or create your own.

Active learning 9 projects
Community resources 38 projects
Datasets 55 projects
Data Structures 4 projects
Density functional theory (ML-DFT) 39 projects
Educational Resources 32 projects
Explainable Artificial intelligence (XAI) 4 projects
Electronic structure methods (ML-ESM) 6 projects
General Tools 24 projects
Generative Models 17 projects
Interatomic Potentials (ML-IAP) 78 projects
Language Models 25 projects
Materials Discovery 13 projects
Mathematical tools 14 projects
Molecular Dynamics 15 projects
Probabilistic ML 1 projects
Reinforcement Learning 2 projects
Representation Engineering 31 projects
Representation Learning 63 projects
Universal Potentials 19 projects
Unsupervised Learning 10 projects
Visualization 6 projects
Wavefunction methods (ML-WFT) 7 projects
Others 1 projects

Explanation

🥇🥈🥉 Combined project-quality score
⭐️ Star count from GitHub
🐣 New project (less than 6 months old)
💤 Inactive project (6 months no activity)
💀 Dead project (12 months no activity)
📈📉 Project is trending up or down
➕ Project was recently added
👨‍💻 Contributors count from GitHub
🔀 Fork count from GitHub
📋 Issue count from GitHub
⏱️ Last update timestamp on package manager
📥 Download count from package manager
📦 Number of dependent projects

Active learning

Projects that focus on enabling active learning, iterative learning schemes for atomistic ML.

DP-GEN (🥇23 · ⭐ 380) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 ML-IAP MD workflows

- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 73 · 🔀 180 · 📥 2.1K · 📦 8 · 📋 340 - 13% open · ⏱️ 25.02.2026):

git clone https://github.com/deepmodeling/dpgen

- [PyPi](https://pypi.org/project/dpgen) (📥 470 / month · 📦 2 · ⏱️ 07.08.2025):

pip install dpgen

- [Conda](https://anaconda.org/deepmodeling/dpgen) (📥 280 · ⏱️ 25.03.2025):

conda install -c deepmodeling dpgen

FLARE (🥈18 · ⭐ 340) - An open-source Python package for creating fast and accurate interatomic potentials. MIT C++ ML-IAP

- [GitHub](https://github.com/mir-group/flare) (👨‍💻 44 · 🔀 78 · 📥 9 · 📦 12 · 📋 220 - 14% open · ⏱️ 30.01.2026):

git clone https://github.com/mir-group/flare

Bgolearn (🥈16 · ⭐ 130) - [arXiv:2601.06820] Offical implement of Bgolearn. MIT materials-discovery probabilistic

- [GitHub](https://github.com/Bin-Cao/Bgolearn) (👨‍💻 4 · 🔀 18 · 📥 70 · ⏱️ 23.02.2026):

git clone https://github.com/Bin-Cao/Bgolearn

- [PyPi](https://pypi.org/project/Bgolearn) (📥 610 / month · ⏱️ 13.01.2026):

pip install Bgolearn

IPSuite (🥈16 · ⭐ 24) - A Python toolkit for FAIR development and deployment of machine-learned interatomic potentials. EPL-2.0 ML-IAP MD workflows HTC FAIR

- [GitHub](https://github.com/zincware/IPSuite) (👨‍💻 9 · 🔀 13 · 📦 13 · 📋 180 - 48% open · ⏱️ 18.12.2025):

git clone https://github.com/zincware/IPSuite

- [PyPi](https://pypi.org/project/ipsuite) (📥 260 / month · 📦 5 · ⏱️ 20.11.2025):

pip install ipsuite

DP-GEN2 (🥉14 · ⭐ 40) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 ML-IAP MD workflows

- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 19 · 🔀 35 · 📦 6 · 📋 46 - 39% open · ⏱️ 20.02.2026):

git clone https://github.com/deepmodeling/dpgen2

Show 4 hidden projects...

- flare++ (🥉12 · ⭐ 38 · 💀) - A many-body extension of the FLARE code. MIT C++ ML-IAP - Finetuna (🥉10 · ⭐ 66 · 💀) - Active Learning for Machine Learning Potentials. MIT - ACEHAL (🥉5 · ⭐ 15 · 💀) - Hyperactive Learning (HAL) Python interface for building Atomic Cluster Expansion potentials. Unlicensed Julia - ALEBREW (🥉4 · ⭐ 21 · 💀) - Official repository for the paper Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic.. Custom ML-IAP MD

Community resources

Projects that collect atomistic ML resources or foster communication within community.

🔗 ACE / GRACE support - Support forum for the Atomic Cluster Expansion (ACE) and extensions.

🔗 AI for Science Map - Interactive mindmap of the AI4Science research field, including atomistic machine learning, including papers,..

🔗 ASE ecosystem - This is a list of software packages related to ASE or using ASE. md, ml-iap

🔗 Atomic Cluster Expansion - Atomic Cluster Expansion (ACE) community homepage.

🔗 CrystaLLM - Generate a crystal structure from a composition. language-models generative pretrained transformer

🔗 GAP-ML.org community homepage ML-IAP

🔗 matsci.org - A community forum for the discussion of anything materials science, with a focus on computational materials science..

🔗 Matter Modeling Stack Exchange - Machine Learning - Forum StackExchange, site Matter Modeling, ML-tagged questions.

Best-of Machine Learning with Python (🥇22 · ⭐ 23K) - A ranked list of awesome machine learning Python libraries. Updated weekly. CC-BY-4.0 general-ml Python

- [GitHub](https://github.com/lukasmasuch/best-of-ml-python) (👨‍💻 56 · 🔀 3K · 📋 63 - 46% open · ⏱️ 07.11.2025):

git clone https://github.com/ml-tooling/best-of-ml-python

MatBench Discovery (🥇21 · ⭐ 210) - An evaluation framework for machine learning models simulating high-throughput materials discovery. MIT datasets benchmarking model-repository

- [GitHub](https://github.com/janosh/matbench-discovery) (👨‍💻 28 · 🔀 54 · 📦 5 · 📋 72 - 4% open · ⏱️ 14.02.2026):

git clone https://github.com/janosh/matbench-discovery

- [PyPi](https://pypi.org/project/matbench-discovery) (📥 1.9K / month · 📦 2 · ⏱️ 11.09.2024):

pip install matbench-discovery

OpenML (🥇20 · ⭐ 730) - Open Machine Learning. BSD-3 datasets

- [GitHub](https://github.com/openml/OpenML) (👨‍💻 35 · 🔀 120 · 📋 960 - 40% open · ⏱️ 23.01.2026):

git clone https://github.com/openml/OpenML

Graph-based Deep Learning Literature (🥈17 · ⭐ 5K) - links to conference publications in graph-based deep learning. MIT general-ml rep-learn

- [GitHub](https://github.com/naganandy/graph-based-deep-learning-literature) (👨‍💻 12 · 🔀 770 · ⏱️ 07.02.2026):

git clone https://github.com/naganandy/graph-based-deep-learning-literature

Garden (🥈17 · ⭐ 37) - FAIR AI/ML Model Publishing Framework. MIT model-repository

- [GitHub](https://github.com/Garden-AI/garden) (👨‍💻 14 · 🔀 4 · 📦 6 · 📋 370 - 2% open · ⏱️ 09.12.2025):

git clone https://github.com/Garden-AI/garden

- [PyPi](https://pypi.org/project/garden-ai) (📥 380 / month · ⏱️ 09.12.2025):

pip install garden-ai

GT4SD - Generative Toolkit for Scientific Discovery (🥈14 · ⭐ 370) - Gradio apps of generative models in GT4SD. MIT generative pretrained drug-discovery model-repository

- [GitHub](https://github.com/GT4SD/gt4sd-core) (👨‍💻 20 · 🔀 78 · 📋 120 - 11% open · ⏱️ 18.09.2025):

git clone https://github.com/GT4SD/gt4sd-core

AI for Science Resources (🥈13 · ⭐ 730) - List of resources for AI4Science research, including learning resources. GPL-3.0 license

- [GitHub](https://github.com/divelab/AIRS) (👨‍💻 36 · 🔀 89 · 📋 32 - 18% open · ⏱️ 22.02.2026):

git clone https://github.com/divelab/AIRS

Neural-Network-Models-for-Chemistry (🥈13 · ⭐ 180) - A collection of Neural Network Models for chemistry. MIT rep-learn

- [GitHub](https://github.com/Eipgen/Neural-Network-Models-for-Chemistry) (👨‍💻 3 · 🔀 24 · 📋 2 - 50% open · ⏱️ 05.02.2026):

git clone https://github.com/Eipgen/Neural-Network-Models-for-Chemistry

GNoME Explorer (🥈12 · ⭐ 1.1K · 💤) - Graph Networks for Materials Exploration Database. Apache-2 datasets materials-discovery

- [GitHub](https://github.com/google-deepmind/materials_discovery) (👨‍💻 2 · 🔀 180 · 📋 25 - 84% open · ⏱️ 03.03.2025):

git clone https://github.com/google-deepmind/materials_discovery

Awesome Materials Informatics (🥈11 · ⭐ 490 · 💤) - Curated list of known efforts in materials informatics, i.e. in modern materials science. Custom

- [GitHub](https://github.com/tilde-lab/awesome-materials-informatics) (👨‍💻 21 · 🔀 100 · ⏱️ 19.06.2025):

git clone https://github.com/tilde-lab/awesome-materials-informatics

Awesome-Scientific-Language-Models (🥈10 · ⭐ 640 · 💤) - A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery (EMNLP24). MIT language-models general-ml pretrained multimodal

- [GitHub](https://github.com/yuzhimanhua/Awesome-Scientific-Language-Models) (👨‍💻 9 · 🔀 34 · ⏱️ 21.06.2025):

git clone https://github.com/yuzhimanhua/Awesome-Scientific-Language-Models

Awesome Materials & Chemistry Datasets (🥈10 · ⭐ 280) - A curated list of the most useful datasets in materials science and chemistry for training machine learning and AI.. MIT datasets experimental-data literature-data proprietary

- [GitHub](https://github.com/blaiszik/awesome-matchem-datasets) (👨‍💻 9 · 🔀 34 · 📋 14 - 28% open · ⏱️ 31.10.2025):

git clone https://github.com/blaiszik/awesome-matchem-datasets

Awesome Neural SBI (🥉9 · ⭐ 150) - Community-sourced list of papers and resources on neural simulation-based inference. MIT active-learning

- [GitHub](https://github.com/smsharma/awesome-neural-sbi) (👨‍💻 7 · 🔀 8 · 📋 2 - 50% open · ⏱️ 28.01.2026):

git clone https://github.com/smsharma/awesome-neural-sbi

optimade.science (🥉9 · ⭐ 10) - A sky-scanner Optimade browser-only GUI. MIT datasets

- [GitHub](https://github.com/tilde-lab/optimade.science) (👨‍💻 8 · 🔀 4 · 📋 26 - 26% open · ⏱️ 04.11.2025):

git clone https://github.com/tilde-lab/optimade.science

DeepModeling Projects (🥉9 · ⭐ 8) - DeepModeling projects. CC-BY-4.0

- [GitHub](https://github.com/deepmodeling/deepmodeling-projects) (👨‍💻 4 · 🔀 2 · ⏱️ 20.02.2026):

git clone https://github.com/deepmodeling/deepmodeling-projects

Awesome Neural Geometry (🥉8 · ⭐ 1.1K) - A curated collection of resources and research related to the geometry of representations in the brain, deep networks,.. Unlicensed educational rep-learn

- [GitHub](https://github.com/neurreps/awesome-neural-geometry) (👨‍💻 16 · 🔀 69 · ⏱️ 24.02.2026):

git clone https://github.com/neurreps/awesome-neural-geometry

The Collection of Database and Dataset Resources in Materials Science (🥉8 · ⭐ 410) - A list of databases, datasets and books/handbooks where you can find materials properties for machine learning.. Unlicensed datasets

- [GitHub](https://github.com/sedaoturak/data-resources-for-materials-science) (👨‍💻 2 · 🔀 56 · ⏱️ 05.02.2026):

git clone https://github.com/sedaoturak/data-resources-for-materials-science

AI for Science paper collection (🥉8 · ⭐ 160) - List the AI for Science papers accepted by top conferences. Apache-2

- [GitHub](https://github.com/AI4QC/AI_for_Science_paper_collection) (👨‍💻 7 · 🔀 15 · ⏱️ 24.09.2025):

git clone https://github.com/sherrylixuecheng/AI_for_Science_paper_collection

Awesome-Crystal-GNNs (🥉7 · ⭐ 110) - This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials. MIT

- [GitHub](https://github.com/kdmsit/Awesome-Crystal-GNNs) (👨‍💻 2 · 🔀 14 · ⏱️ 24.10.2025):

git clone https://github.com/kdmsit/Awesome-Crystal-GNNs

Charting ML Publications in Science (🥉6 · ⭐ 43 · 💤) - Literature analysis of ML applications in materials science, chemistry, physics. MIT literature-data general-ml

- [GitHub](https://github.com/blaiszik/ml_publication_charts) (👨‍💻 2 · ⏱️ 22.03.2025):

git clone https://github.com/blaiszik/ml_publication_charts

LAM Crystal Philately competition 2024 (🥉5 · ⭐ 22 · 💤) - OpenLAM Challenge crystal structure prediction https://arxiv.org/abs/2501.16358. LGPL-2.1 single-paper datasets structure-prediction materials-discovery ML-IAP UIP

- [GitHub](https://github.com/deepmodeling/openlam) (👨‍💻 2 · 🔀 5 · ⏱️ 10.02.2025):

git clone https://github.com/deepmodeling/openlam

Show 9 hidden projects...

- MatBench (🥈19 · ⭐ 190 · 💀) - Matbench: Benchmarks for materials science property prediction. MIT datasets benchmarking model-repository - MoLFormers UI (🥉9 · ⭐ 380 · 💀) - A family of foundation models trained on chemicals. Apache-2 transformer language-models pretrained drug-discovery - Awesome-Graph-Generation (🥉8 · ⭐ 360 · 💀) - A curated list of up-to-date graph generation papers and resources. Unlicensed rep-learn - A Highly Opinionated List of Open-Source Materials Informatics Resources (🥉7 · ⭐ 150 · 💀) - A Highly Opinionated List of Open Source Materials Informatics Resources. MIT - MADICES Awesome Interoperability (🥉7 · ⭐ 1) - Linked data interoperability resources of the Machine-actionable data interoperability for the chemical sciences.. MIT datasets - Geometric-GNNs (🥉4 · ⭐ 120 · 💀) - List of Geometric GNNs for 3D atomic systems. Unlicensed datasets educational rep-learn - Does this material exist? (🥉3 · ⭐ 18 · 💀) - Vote on whether you think predicted crystal structures could be synthesised. MIT for-fun materials-discovery - GitHub topic materials-informatics (🥉1) - GitHub topic materials-informatics. Unlicensed - MateriApps (🥉1) - A Portal Site of Materials Science Simulation. Unlicensed

Datasets

Datasets, databases and trained models for atomistic ML.

🔗 Alexandria Materials Database - A database of millions of theoretical crystal structures (3D, 2D and 1D) discovered by machine learning accelerated..

🔗 Catalysis Hub - A web-platform for sharing data and software for computational catalysis research!.

🔗 Citrination Datasets - AI-Powered Materials Data Platform. Open Citrination has been decommissioned.

🔗 crystals.ai - Curated datasets for reproducible AI in materials science.

🔗 DeepChem Models - DeepChem models on HuggingFace. model-repository pretrained language-models

🔗 Graphs of Materials Project 20190401 - The dataset used to train the MEGNet interatomic potential. ML-IAP

🔗 HME21 Dataset - High-temperature multi-element 2021 dataset for the PreFerred Potential (PFP).. UIP

🔗 JARVIS-Leaderboard ( ⭐ 72) - A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w. model-repository benchmarking community-resource educational

🔗 Materials Project - Charge Densities - Materials Project has started offering charge density information available for download via their public API.

🔗 Materials Project Trajectory (MPtrj) Dataset - The dataset used to train the CHGNet universal potential. UIP

🔗 matterverse.ai - Database of yet-to-be-sythesized materials predicted using state-of-the-art machine learning algorithms.

🔗 MPF.2021.2.8 - The dataset used to train the M3GNet universal potential. UIP

🔗 NRELMatDB - Computational materials database with the specific focus on materials for renewable energy applications including, but..

🔗 QM9 Charge Densities and Energies - QM9 molecules calculated with VASP using Atomic Simulation Environment. ML-DFT

🔗 QM40 Dataset - A More Realistic QM Dataset for Machine Learning in Molecular Science https://doi.org/10.1038/s41597-024-04206-y. drug-discovery

🔗 QMugs dataset - Quantum Mechanical Properties of Drug-like Molecules https://doi.org/10.1038/s41597-022-01390-7. drug-discovery

🔗 Quantum-Machine.org Datasets - Collection of datasets, including QM7, QM9, etc. MD, DFT. Small organic molecules, mostly.

🔗 sGDML Datasets - MD17, MD22, DFT datasets.

🔗 MoleculeNet - A Benchmark for Molecular Machine Learning. benchmarking

🔗 ZINC15 - A free database of commercially-available compounds for virtual screening. ZINC contains over 230 million purchasable.. graph biomolecules

🔗 ZINC20 - A free database of commercially-available compounds for virtual screening. ZINC contains over 230 million purchasable.. graph biomolecules

FAIR Chemistry datasets (🥇31 · ⭐ 2K) - Datasets OC20, OC22, etc. Formerly known as Open Catalyst Project. MIT catalysis

- [GitHub](https://github.com/facebookresearch/fairchem) (👨‍💻 66 · 🔀 440 · 📋 540 - 2% open · ⏱️ 26.02.2026):

git clone https://github.com/FAIR-Chem/fairchem

- [PyPi](https://pypi.org/project/fairchem-core) (📥 190K / month · 📦 37 · ⏱️ 26.02.2026):

pip install fairchem-core

Meta Open Materials 2024 (OMat24) Dataset (🥇30 · ⭐ 2K) - Contains over 100 million Density Functional Theory calculations focused on structural and compositional diversity. CC-BY-4.0

- [GitHub](https://github.com/facebookresearch/fairchem) (👨‍💻 66 · 🔀 440 · 📋 540 - 2% open · ⏱️ 26.02.2026):

git clone https://github.com/FAIR-Chem/fairchem

- [PyPi](https://pypi.org/project/fairchem-core) (📥 190K / month · 📦 37 · ⏱️ 26.02.2026):

pip install fairchem-core

MPContribs (🥇26 · ⭐ 39) - Platform for materials scientists to contribute and disseminate their materials data through Materials Project. MIT

- [GitHub](https://github.com/materialsproject/MPContribs) (👨‍💻 29 · 🔀 27 · 📦 58 · 📋 120 - 30% open · ⏱️ 26.02.2026):

git clone https://github.com/materialsproject/MPContribs

- [PyPi](https://pypi.org/project/mpcontribs-client) (📥 12K / month · 📦 7 · ⏱️ 09.02.2026):

pip install mpcontribs-client

OPTIMADE Python tools (🥇24 · ⭐ 87) - Tools for implementing and consuming OPTIMADE APIs in Python. MIT

- [GitHub](https://github.com/Materials-Consortia/optimade-python-tools) (👨‍💻 33 · 🔀 49 · 📋 500 - 22% open · ⏱️ 17.02.2026):

git clone https://github.com/Materials-Consortia/optimade-python-tools

- [PyPi](https://pypi.org/project/optimade) (📥 21K / month · 📦 4 · ⏱️ 13.02.2026):

pip install optimade

- [Conda](https://anaconda.org/conda-forge/optimade) (📥 170K · ⏱️ 13.02.2026):

conda install -c conda-forge optimade

load-atoms (🥈19 · ⭐ 48) - download and manipulate atomistic datasets. MIT data-structures

- [GitHub](https://github.com/jla-gardner/load-atoms) (👨‍💻 5 · 🔀 5 · 📦 8 · 📋 35 - 14% open · ⏱️ 25.11.2025):

git clone https://github.com/jla-gardner/load-atoms

- [PyPi](https://pypi.org/project/load-atoms) (📥 350K / month · 📦 3 · ⏱️ 25.11.2025):

pip install load-atoms

Open Databases Integration for Materials Design (OPTIMADE) (🥈18 · ⭐ 100) - Specification of a common REST API for access to materials databases. CC-BY-4.0

- [GitHub](https://github.com/Materials-Consortia/OPTIMADE) (👨‍💻 24 · 🔀 37 · 📋 260 - 30% open · ⏱️ 18.12.2025):

git clone https://github.com/Materials-Consortia/OPTIMADE

OpenQDC (🥈14 · ⭐ 59 · 💤) - Repository of Quantum Datasets Publicly Available. CC-BY-4.0

- [GitHub](https://github.com/valence-labs/OpenQDC) (👨‍💻 10 · 🔀 5 · 📦 4 · 📋 50 - 18% open · ⏱️ 19.06.2025):

git clone https://github.com/valence-labs/openQDC

- [PyPi](https://pypi.org/project/openqdc) (📥 130 / month · ⏱️ 09.08.2024):

pip install openqdc

- [Conda](https://anaconda.org/conda-forge/openqdc) (📥 2K · ⏱️ 22.04.2025):

conda install -c conda-forge openqdc

QH9 (🥈13 · ⭐ 730) - A Quantum Hamiltonian Prediction Benchmark. CC-BY-NC-SA-4.0 ML-DFT

- [GitHub](https://github.com/divelab/AIRS) (👨‍💻 36 · 🔀 89 · 📋 32 - 18% open · ⏱️ 22.02.2026):

git clone https://github.com/divelab/AIRS

nablaDFT (🥈13 · ⭐ 230) - nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset. MIT ML-DFT ML-WFT drug-discovery ML-IAP benchmarking

- [GitHub](https://github.com/AIRI-Institute/nablaDFT) (👨‍💻 9 · 🔀 25 · 📋 28 - 10% open · ⏱️ 31.12.2025):

git clone https://github.com/AIRI-Institute/nablaDFT

OpenKIM (🥈12 · ⭐ 37 · 💤) - The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-.. LGPL-2.1 model-repository knowledge-base pretrained

- [GitHub](https://github.com/openkim/kim-api) (👨‍💻 27 · 🔀 18 · 📋 37 - 40% open · ⏱️ 29.04.2025):

git clone https://github.com/openkim/kim-api

MPDS API (🥈12 · ⭐ 26) - Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials.. CC-BY-4.0 phase-transition

- [GitHub](https://github.com/mpds-io/mpds-api) (👨‍💻 5 · 🔀 5 · 📋 36 - 22% open · ⏱️ 24.01.2026):

git clone https://github.com/mpds-io/mpds-api

- [PyPi](https://pypi.org/project/mpds_client) (📥 220 / month · ⏱️ 14.09.2020):

pip install mpds_client

SPICE (🥈11 · ⭐ 190) - A collection of QM data for training potential functions. MIT ML-IAP MD

- [GitHub](https://github.com/openmm/spice-dataset) (👨‍💻 1 · 🔀 10 · 📥 340 · 📋 76 - 27% open · ⏱️ 25.02.2026):

git clone https://github.com/openmm/spice-dataset

MatPES (🥈11 · ⭐ 51) - A foundational potential energy dataset for materials. BSD-3 UIP ML-IAP

- [GitHub](https://github.com/materialyzeai/matpes) (👨‍💻 3 · 🔀 4 · 📋 9 - 22% open · ⏱️ 01.12.2025):

git clone https://github.com/materialsvirtuallab/matpes

- [PyPi](https://pypi.org/project/matpes) (📥 76 / month · ⏱️ 10.03.2025):

pip install matpes

AIS Square (🥉10 · ⭐ 15) - A collaborative and open-source platform for sharing AI for Science datasets, models, and workflows. Home of the.. LGPL-3.0 community-resource model-repository

- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 30.01.2026):

git clone https://github.com/deepmodeling/AIS-Square

OBELiX (🥉9 · ⭐ 50) - A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State.. CC-BY-4.0 experimental-data transport-phenomena

- [GitHub](https://github.com/NRC-Mila/OBELiX) (👨‍💻 6 · 🔀 9 · 📋 2 - 50% open · ⏱️ 27.11.2025):

git clone https://github.com/NRC-Mila/OBELiX

- [PyPi](https://pypi.org/project/obelix-data) (📥 120 / month · ⏱️ 16.05.2025):

pip install obelix-data

polyVERSE (🥉8 · ⭐ 30) - polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group. Custom soft-matter

- [GitHub](https://github.com/Ramprasad-Group/polyVERSE) (👨‍💻 9 · 🔀 6 · ⏱️ 21.01.2026):

git clone https://github.com/Ramprasad-Group/polyVERSE

GDB-9-Ex9 and ORNL_AISD-Ex (🥉5 · ⭐ 10 · 💤) - Distributed computing workflow for generation and analysis of large scale molecular datasets obtained running multi-.. Unlicensed

- [GitHub](https://github.com/ORNL/Analysis-of-Large-Scale-Molecular-Datasets-with-Python) (👨‍💻 7 · 🔀 6 · ⏱️ 12.03.2025):

git clone https://github.com/ORNL/Analysis-of-Large-Scale-Molecular-Datasets-with-Python

Visual Graph Datasets (🥉5 · ⭐ 5) - Datasets for the training of graph neural networks (GNNs) and subsequent visualization of attributional explanations.. MIT XAI rep-learn

- [GitHub](https://github.com/aimat-lab/visual_graph_datasets) (👨‍💻 2 · 🔀 3 · ⏱️ 25.09.2025):

git clone https://github.com/aimat-lab/visual_graph_datasets

Show 16 hidden projects...

- ATOM3D (🥈19 · ⭐ 320 · 💀) - ATOM3D: tasks on molecules in three dimensions. MIT biomolecules benchmarking - Materials Data Facility (MDF) (🥉10 · ⭐ 10 · 💀) - A simple way to publish, discover, and access materials datasets. Publication of very large datasets supported (e.g.,.. Apache-2 - MoleculeNet Leaderboard (🥉9 · ⭐ 100 · 💀) - MIT benchmarking - 2DMD dataset (🥉9 · ⭐ 8 · 💀) - Code for Kazeev, N., Al-Maeeni, A.R., Romanov, I. et al. Sparse representation for machine learning the properties of.. Apache-2 material-defect - ANI-1 Dataset (🥉8 · ⭐ 100 · 💀) - A data set of 20 million calculated off-equilibrium conformations for organic molecules. MIT - GEOM (🥉7 · ⭐ 240 · 💀) - GEOM: Energy-annotated molecular conformations. Unlicensed drug-discovery - ANI-1x Datasets (🥉6 · ⭐ 68 · 💀) - The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules. MIT - COMP6 Benchmark dataset (🥉6 · ⭐ 40 · 💀) - COMP6 Benchmark dataset for ML potentials. MIT - SciGlass (🥉6 · ⭐ 15 · 💀) - The database contains a vast set of data on the properties of glass materials. MIT - The Perovskite Database Project (🥉5 · ⭐ 70 · 💀) - Perovskite Database Project aims at making all perovskite device data, both past and future, available in a form.. Unlicensed community-resource - OPTIMADE providers dashboard (🥉5 · ⭐ 2 · 💤) - A dashboard of known providers. Unlicensed - 3DSC Database (🥉4 · ⭐ 24 · 💀) - Repo for the paper publishing the superconductor database with 3D crystal structures. Custom superconductors materials-discovery - paper-data-redundancy (🥉4 · ⭐ 11 · 💀) - Repo for the paper Exploiting redundancy in large materials datasets for efficient machine learning with less data. BSD-3 small-data single-paper - linear-regression-benchmarks (🥉4 · ⭐ 1 · 💀) - Data sets used for linear regression benchmarks. MIT benchmarking single-paper - nep-data (🥉3 · ⭐ 21 · 💀) - Data related to the NEP machine-learned potential of GPUMD. Unlicensed ML-IAP MD transport-phenomena - tmQM_wB97MV Dataset (🥉1 · ⭐ 9 · 💀) - Code for Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV.. Unlicensed catalysis rep-learn

Data Structures

Projects that focus on providing data structures used in atomistic machine learning.

dpdata (🥇27 · ⭐ 240) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0

- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 68 · 🔀 150 · 📦 160 · 📋 160 - 32% open · ⏱️ 26.02.2026):

git clone https://github.com/deepmodeling/dpdata

- [PyPi](https://pypi.org/project/dpdata) (📥 60K / month · 📦 42 · ⏱️ 21.10.2025):

pip install dpdata

- [Conda](https://anaconda.org/deepmodeling/dpdata) (📥 400 · ⏱️ 25.03.2025):

conda install -c deepmodeling dpdata

Metatensor (🥈22 · ⭐ 94) - Self-describing sparse tensor data format for atomistic machine learning and beyond. BSD-3 ML-IAP MD Rust C-lang C++ Python

- [GitHub](https://github.com/metatensor/metatensor) (👨‍💻 36 · 🔀 26 · 📥 53K · 📦 14 · 📋 270 - 26% open · ⏱️ 13.02.2026):

git clone https://github.com/metatensor/metatensor

- [PyPi](https://pypi.org/project/metatensor) (📥 1.5K / month · ⏱️ 26.01.2024):

pip install metatensor

mp-pyrho (🥉19 · ⭐ 42) - Tools for re-griding volumetric quantum chemistry data for machine-learning purposes. Custom ML-DFT

- [GitHub](https://github.com/materialsproject/pyrho) (👨‍💻 10 · 🔀 10 · 📦 33 · 📋 10 - 70% open · ⏱️ 13.10.2025):

git clone https://github.com/materialsproject/pyrho

- [PyPi](https://pypi.org/project/mp-pyrho) (📥 350K / month · 📦 5 · ⏱️ 13.10.2025):

pip install mp-pyrho

dlpack (🥉17 · ⭐ 1.2K) - common in-memory tensor structure. Apache-2 C++

- [GitHub](https://github.com/dmlc/dlpack) (👨‍💻 33 · 🔀 150 · 📋 87 - 29% open · ⏱️ 24.01.2026):

git clone https://github.com/dmlc/dlpack

Density functional theory (ML-DFT)

Projects and models that focus on quantities of DFT, such as density functional approximations (ML-DFA), the charge density, density of states, the Hamiltonian, etc.

🔗 IKS-PIML - Code and generated data for the paper Inverting the Kohn-Sham equations with physics-informed machine learning.. neural-operator pinn datasets single-paper

🔗 M-OFDFT - Overcoming the Barrier of Orbital-Free Density Functional Theory in Molecular Systems Using Deep Learning.. transformer single-paper

JAX-DFT (🥇26 · ⭐ 37K) - This library provides basic building blocks that can construct DFT calculations as a differentiable program. Apache-2

- [GitHub](https://github.com/google-research/google-research) (👨‍💻 860 · 🔀 8.3K · 📋 2.1K - 83% open · ⏱️ 25.02.2026):

git clone https://github.com/google-research/google-research

MALA (🥇17 · ⭐ 98) - Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data. BSD-3

- [GitHub](https://github.com/mala-project/mala) (👨‍💻 47 · 🔀 28 · 📦 2 · 📋 310 - 9% open · ⏱️ 16.09.2025):

git clone https://github.com/mala-project/mala

Q-stack (🥇15 · ⭐ 18) - Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML). MIT excited-states general-tool

- [GitHub](https://github.com/lcmd-epfl/Q-stack) (👨‍💻 8 · 🔀 7 · 📋 55 - 12% open · ⏱️ 28.01.2026):

git clone https://github.com/lcmd-epfl/Q-stack

QHNet (🥈13 · ⭐ 730) - Artificial Intelligence Research for Science (AIRS). GPL-3.0 rep-learn

- [GitHub](https://github.com/divelab/AIRS) (👨‍💻 36 · 🔀 89 · 📋 32 - 18% open · ⏱️ 22.02.2026):

git clone https://github.com/divelab/AIRS

HamGNN (🥈13 · ⭐ 160) - An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix. GPL-3.0 rep-learn magnetism C-lang

- [GitHub](https://github.com/QuantumLab-ZY/HamGNN) (👨‍💻 6 · 🔀 36 · 📋 77 - 83% open · ⏱️ 29.01.2026):

git clone https://github.com/QuantumLab-ZY/HamGNN

SALTED (🥈13 · ⭐ 42) - Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response). GPL-3.0

- [GitHub](https://github.com/andreagrisafi/SALTED) (👨‍💻 24 · 🔀 6 · 📋 10 - 30% open · ⏱️ 20.02.2026):

git clone https://github.com/andreagrisafi/SALTED

DeePKS-kit (🥈9 · ⭐ 120 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0 ml-functional

- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 39 · 📋 32 - 46% open · ⏱️ 28.04.2025):

git clone https://github.com/deepmodeling/deepks-kit

CiderPress (🥈9 · ⭐ 18 · 💤) - A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER.. GPL-3.0 ml-functional C-lang

- [GitHub](https://github.com/mir-group/CiderPress) (👨‍💻 2 · 🔀 3 · ⏱️ 09.04.2025):

git clone https://github.com/mir-group/CiderPress

- [PyPi](https://pypi.org/project/ciderpress) (📥 74 / month · ⏱️ 13.03.2025):

pip install ciderpress

ACEhamiltonians (🥈9 · ⭐ 17) - Provides tools for constructing, fitting, and predicting self-consistent Hamiltonian and overlap matrices in solid-.. MIT Julia

- [GitHub](https://github.com/ACEsuit/ACEhamiltonians.jl) (👨‍💻 5 · 🔀 7 · 📋 5 - 40% open · ⏱️ 17.09.2025):

git clone https://github.com/ACEsuit/ACEhamiltonians.jl

dftio (🥈8 · ⭐ 14 · 📉) - dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by.. LGPL-3.0 data-structures workflows

- [GitHub](https://github.com/deepmodeling/dftio) (👨‍💻 5 · 🔀 10 · 📋 8 - 50% open · ⏱️ 18.12.2025):

git clone https://github.com/deepmodeling/dftio

DeepH-E3 (🥉7 · ⭐ 110) - General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian. MIT magnetism

- [GitHub](https://github.com/Xiaoxun-Gong/DeepH-E3) (👨‍💻 2 · 🔀 28 · 📋 40 - 67% open · ⏱️ 27.01.2026):

git clone https://github.com/Xiaoxun-Gong/DeepH-E3

ChargE3Net (🥉7 · ⭐ 71 · 💤) - [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials. MIT rep-learn

- [GitHub](https://github.com/AIforGreatGood/charge3net) (👨‍💻 3 · 🔀 18 · 📋 14 - 35% open · ⏱️ 21.02.2025):

git clone https://github.com/AIforGreatGood/charge3net

Show 25 hidden projects...

- DM21 (🥇20 · ⭐ 15K · 💀) - This package provides a PySCF interface to the DM21 (DeepMind 21) family of exchange-correlation functionals described.. Apache-2 - DeepH-pack (🥈12 · ⭐ 320 · 💀) - Deep neural networks for density functional theory Hamiltonian. LGPL-3.0 Julia - Grad DFT (🥈10 · ⭐ 110 · 💀) - GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation.. Apache-2 - NeuralXC (🥈10 · ⭐ 36 · 💀) - Implementation of a machine learned density functional. BSD-3 - PROPhet (🥈9 · ⭐ 66 · 💀) - PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches. GPL-3.0 ML-IAP MD single-paper C++ - Libnxc (🥈8 · ⭐ 21 · 💀) - A library for using machine-learned exchange-correlation functionals for density-functional theory. MPL-2.0 C++ Fortran - Mat2Spec (🥉7 · ⭐ 29 · 💀) - Density of States Prediction for Materials Discovery via Contrastive Learning from Probabilistic Embeddings. MIT spectroscopy - DeepDFT (🥉6 · ⭐ 87 · 💀) - Official implementation of DeepDFT model. MIT - scdp (scalable charge density prediction) (🥉6 · ⭐ 39 · 💀) - [NeurIPS 2024] source code for A Recipe for Charge Density Prediction. MIT rep-learn single-paper - charge-density-models (🥉6 · ⭐ 15 · 💀) - Tools to build charge density models using [fairchem](https://github.com/FAIR-Chem/fairchem). MIT rep-learn - KSR-DFT (🥉6 · ⭐ 4 · 💀) - Kohn-Sham regularizer for machine-learned DFT functionals. Apache-2 - xDeepH (🥉5 · ⭐ 40 · 💀) - Extended DeepH (xDeepH) method for magnetic materials. LGPL-3.0 magnetism Julia - InfGCN for Electron Density Estimation (🥉5 · ⭐ 16 · 💀) - Official implementation of the NeurIPS 23 spotlight paper of InfGCN. MIT rep-learn neural-operator - rho_learn (🥉5 · ⭐ 4 · 💀) - A proof-of-concept workflow for torch-based electron density learning. MIT ML-DFT rep-eng - ML-DFT (🥉4 · ⭐ 27 · 💀) - A package for density functional approximation using machine learning. MIT - DeepCDP (🥉4 · ⭐ 6 · 💀) - DeepCDP: Deep learning Charge Density Prediction. Unlicensed - CSNN (🥉4 · ⭐ 3 · 💀) - Primary codebase of CSNN - Concentric Spherical Neural Network for 3D Representation Learning. BSD-3 - rholearn (🥉4 · ⭐ 3 · 💀) - Learning and predicting electronic densities decomposed on a basis and global electronic densities of states at DFT.. MIT ML-DFT rep-eng density-of-states - gprep (🥉4 · 💀) - Fitting DFTB repulsive potentials with GPR. MIT single-paper - APET (🥉3 · ⭐ 6 · 💀) - Atomic Positional Embedding-based Transformer. GPL-3.0 density-of-states transformer - MALADA (🥉3 · ⭐ 1 · 💤) - MALA Data Acquisition: Helpful tools to build data for MALA. BSD-3 - ofdft_nflows (🥉2 · ⭐ 11 · 💀) - Nomalizing flows for orbita-free DFT. Unlicensed generative - A3MD (🥉2 · ⭐ 8 · 💀) - MPNN-like + Analytic Density Model = Accurate electron densities. Unlicensed rep-learn single-paper - MLDensity (🥉1 · ⭐ 7 · 💀) - Linear Jacobi-Legendre expansion of the charge density for machine learning-accelerated electronic structure.. Unlicensed - kdft (🥉1 · ⭐ 2 · 💀) - The Kernel Density Functional (KDF) code allows generating ML based DFT functionals. Unlicensed

Educational Resources

Tutorials, guides, cookbooks, recipes, etc.

🔗 AI for Science 101 community-resource rep-learn

🔗 AL4MS 2023 workshop tutorials active-learning

🔗 Quantum Chemistry in the Age of Machine Learning - Book, 2022.

Deep Learning for Molecules and Materials Book (🥇13 · ⭐ 720) - Deep learning for molecules and materials book. Custom

- [GitHub](https://github.com/whitead/dmol-book) (👨‍💻 19 · 🔀 130 · 📋 180 - 17% open · ⏱️ 20.02.2026):

git clone https://github.com/whitead/dmol-book

Geometric GNN Dojo (🥇12 · ⭐ 520) - New to geometric GNNs: try our practical notebook, prepared for MPhil students at the University of Cambridge. MIT rep-learn

- [GitHub](https://github.com/chaitjo/geometric-gnn-dojo) (👨‍💻 4 · 🔀 51 · 📋 9 - 22% open · ⏱️ 09.10.2025):

git clone https://github.com/chaitjo/geometric-gnn-dojo

AI4Chemistry course (🥇12 · ⭐ 240) - EPFL AI for chemistry course, Spring 2023. https://schwallergroup.github.io/ai4chem_course. MIT chemistry

- [GitHub](https://github.com/schwallergroup/ai4chem_course) (👨‍💻 8 · 🔀 58 · 📋 4 - 25% open · ⏱️ 25.02.2026):

git clone https://github.com/schwallergroup/ai4chem_course

COSMO Software Cookbook (🥈11 · ⭐ 35) - A collection of simulation recipes for the atomic-scale modeling of materials and molecules. BSD-3

- [GitHub](https://github.com/lab-cosmo/atomistic-cookbook) (👨‍💻 19 · 🔀 7 · 📋 32 - 43% open · ⏱️ 23.02.2026):

git clone https://github.com/lab-cosmo/software-cookbook

MLforMaterials (🥈9 · ⭐ 130) - Online resource for a practical course in machine learning for materials research at Imperial College London.. MIT community-resource general-ml rep-eng materials-discovery

- [GitHub](https://github.com/aronwalsh/MLforMaterials) (👨‍💻 2 · 🔀 17 · ⏱️ 07.02.2026):

git clone https://github.com/aronwalsh/MLforMaterials

DSECOP (🥈9 · ⭐ 51 · 💤) - This repository contains data science educational materials developed by DSECOP Fellows. CCO-1.0

- [GitHub](https://github.com/GDS-Education-Community-of-Practice/DSECOP) (👨‍💻 14 · 🔀 25 · 📋 8 - 12% open · ⏱️ 29.04.2025):

git clone https://github.com/GDS-Education-Community-of-Practice/DSECOP

iam-notebooks (🥈9 · ⭐ 36) - Jupyter notebooks for the lectures of the Introduction to Atomistic Modeling. Apache-2

- [GitHub](https://github.com/ceriottm/iam-notebooks) (👨‍💻 6 · 🔀 5 · ⏱️ 14.02.2026):

git clone https://github.com/ceriottm/iam-notebooks

jarvis-tools-notebooks (🥈8 · ⭐ 95 · 💤) - This repository is no longer maintained. For the latest updates and continued development, please visit:.. NIST

- [GitHub](https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks) (👨‍💻 6 · 🔀 40 · ⏱️ 10.07.2025):

git clone https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks

DeepModeling Tutorials (🥉6 · ⭐ 16 · 💤) - Tutorials for DeepModeling projects. Unlicensed

- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 12 · 🔀 23 · 📋 4 - 25% open · ⏱️ 03.04.2025):

git clone https://github.com/deepmodeling/tutorials

MACE-tutorials (🥉5 · ⭐ 53) - Another set of tutorials for the MACE interatomic potential by one of the authors. MIT ML-IAP rep-learn MD

- [GitHub](https://github.com/ACEsuit/mace-tutorials) (👨‍💻 2 · 🔀 14 · ⏱️ 22.01.2026):

git clone https://github.com/ilyes319/mace-tutorials

Show 19 hidden projects...

- DeepLearningLifeSciences (🥇12 · ⭐ 400 · 💀) - Example code from the book Deep Learning for the Life Sciences. MIT - Introduction to AI-driven Science on Supercomputers: A Student Training Series (🥇12 · ⭐ 240) - Unlicensed general-ml rep-learn language-models - OPTIMADE Tutorial Exercises (🥈9 · ⭐ 17 · 💀) - Tutorial exercises for the OPTIMADE API. MIT datasets - RDKit Tutorials (🥈8 · ⭐ 310 · 💀) - Tutorials to learn how to work with the RDKit. Custom - BestPractices (🥈8 · ⭐ 200 · 💀) - Things that you should (and should not) do in your Materials Informatics research. MIT - MAChINE (🥉7 · ⭐ 1 · 💀) - Client-Server Web App to introduce usage of ML in materials science to beginners. MIT - Applied AI for Materials (🥉6 · ⭐ 73 · 💀) - Course materials for Applied AI for Materials Science and Engineering. Unlicensed - Machine Learning for Materials Hard and Soft (🥉6 · ⭐ 39 · 💀) - ESI-DCAFM-TACO-VDSP Summer School on Machine Learning for Materials Hard and Soft. Unlicensed - ML for catalysis tutorials (🥉6 · ⭐ 11 · 💀) - A jupyter book repo for tutorial on how to use OCP ML models for catalysis. MIT - Data Handling, DoE and Statistical Analysis for Material Chemists (🥉6 · ⭐ 4 · 💀) - Notebooks for workshops of DoE course, hosted by the Computational Materials Chemistry group at Uppsala University. GPL-3.0 - AI4Science101 (🥉5 · ⭐ 100 · 💀) - AI for Science. Unlicensed - ML-in-chemistry-101 (🥉4 · ⭐ 85 · 💀) - The course materials for Machine Learning in Chemistry 101. Unlicensed - DSM-CORE (🥉4 · ⭐ 16 · 💤) - Data Science for Materials - Collection of Open Educational Resources. Unlicensed - chemrev-gpr (🥉4 · ⭐ 12 · 💀) - Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020. Unlicensed - AI4ChemMat Hands-On Series (🥉4 · ⭐ 1 · 💀) - Hands-On Series organized by Chemistry and Materials working group at Argonne Nat Lab. MPL-2.0 - PiNN Lab (🥉3 · ⭐ 3 · 💀) - Material for running a lab session on atomic neural networks. GPL-3.0 - MLDensity_tutorial (🥉2 · ⭐ 12 · 💀) - Tutorial files to work with ML for the charge density in molecules and solids. Unlicensed - LAMMPS-style pair potentials with GAP (🥉2 · ⭐ 4 · 💀) - A tutorial on how to create LAMMPS-style pair potentials and use them in combination with GAP potentials to run MD.. Unlicensed ML-IAP MD rep-eng - MALA Tutorial (🥉2 · ⭐ 2 · 💀) - A full MALA hands-on tutorial. Unlicensed

Explainable Artificial intelligence (XAI)

Projects that focus on explainability and model interpretability in atomistic ML.

exmol (🥇18 · ⭐ 350 · 💤) - Explainer for black box models that predict molecule properties. MIT

- [GitHub](https://github.com/ur-whitelab/exmol) (👨‍💻 9 · 🔀 47 · 📋 72 - 8% open · ⏱️ 08.05.2025):

git clone https://github.com/ur-whitelab/exmol

- [PyPi](https://pypi.org/project/exmol) (📥 2.4K / month · 📦 3 · ⏱️ 08.05.2025):

pip install exmol

Show 3 hidden projects...

- MEGAN: Multi Explanation Graph Attention Student (🥈4 · ⭐ 12) - Minimal implementation of graph attention student model architecture. MIT rep-learn - Linear vs blackbox (🥉3 · ⭐ 2 · 💀) - Code and data related to the publication: Interpretable models for extrapolation in scientific machine learning. MIT XAI single-paper rep-eng - XElemNet (🥉2 · 💀) - Using explainable artificial intelligence (XAI) techniques to analyze ElemNet... Unlicensed rep-eng single-paper

Electronic structure methods (ML-ESM)

Projects and models that focus on quantities of electronic structure methods, which do not fit into either of the categories ML-WFT or ML-DFT.

DeePTB (🥇16 · ⭐ 100) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 ML-DFT

- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 15 · 🔀 26 · 📦 4 · 📋 64 - 37% open · ⏱️ 09.02.2026):

git clone https://github.com/deepmodeling/DeePTB

- [PyPi](https://pypi.org/project/dptb) (📥 370 / month · 📦 2 · ⏱️ 07.05.2025):

pip install dptb

Show 5 hidden projects...

- QDF for molecule (🥈8 · ⭐ 230 · 💀) - Quantum deep field: data-driven wave function, electron density generation, and energy prediction and extrapolation.. MIT - QMLearn (🥈5 · ⭐ 12 · 💀) - Quantum Machine Learning by learning one-body reduced density matrices in the AO basis... MIT - q-pac (🥈5 · ⭐ 6 · 💀) - Kernel charge equilibration method. MIT electrostatics - halex (🥈5 · ⭐ 3 · 💀) - Hamiltonian Learning for Excited States https://doi.org/10.48550/arXiv.2311.00844. Unlicensed excited-states - e3psi (🥉3 · ⭐ 7 · 💀) - Equivariant machine learning library for learning from electronic structures. LGPL-3.0

General Tools

General tools for atomistic machine learning.

RDKit (🥇39 · ⭐ 3.3K) - BSD-3 C++ cheminformatics

- [GitHub](https://github.com/rdkit/rdkit) (👨‍💻 270 · 🔀 950 · 📦 3 · 📋 4.2K - 15% open · ⏱️ 26.02.2026):

git clone https://github.com/rdkit/rdkit

- [PyPi](https://pypi.org/project/rdkit) (📥 5.6M / month · 📦 1.5K · ⏱️ 16.02.2026):

pip install rdkit

- [Conda](https://anaconda.org/rdkit/rdkit) (📥 2.6M · ⏱️ 25.03.2025):

conda install -c rdkit rdkit

DeepChem (🥇34 · ⭐ 6.6K) - Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology. MIT

- [GitHub](https://github.com/deepchem/deepchem) (👨‍💻 260 · 🔀 2.1K · 📦 650 · 📋 2.2K - 41% open · ⏱️ 20.02.2026):

git clone https://github.com/deepchem/deepchem

- [PyPi](https://pypi.org/project/deepchem) (📥 45K / month · 📦 24 · ⏱️ 20.02.2026):

pip install deepchem

- [Conda](https://anaconda.org/conda-forge/deepchem) (📥 120K · ⏱️ 22.04.2025):

conda install -c conda-forge deepchem

- [Docker Hub](https://hub.docker.com/r/deepchemio/deepchem) (📥 9.4K · ⭐ 5 · ⏱️ 15.07.2025):

docker pull deepchemio/deepchem

Matminer (🥇32 · ⭐ 570) - Data mining for materials science. Custom

- [GitHub](https://github.com/hackingmaterials/matminer) (👨‍💻 56 · 🔀 210 · 📦 470 · 📋 230 - 12% open · ⏱️ 10.02.2026):

git clone https://github.com/hackingmaterials/matminer

- [PyPi](https://pypi.org/project/matminer) (📥 1.3M / month · 📦 86 · ⏱️ 22.01.2026):

pip install matminer

- [Conda](https://anaconda.org/conda-forge/matminer) (📥 110K · ⏱️ 23.01.2026):

conda install -c conda-forge matminer

QUIP (🥈28 · ⭐ 390) - libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io. GPL-2.0 MD ML-IAP rep-eng Fortran

- [GitHub](https://github.com/libAtoms/QUIP) (👨‍💻 86 · 🔀 130 · 📥 850 · 📦 46 · 📋 490 - 23% open · ⏱️ 30.01.2026):

git clone https://github.com/libAtoms/QUIP

- [PyPi](https://pypi.org/project/quippy-ase) (📥 9.5K / month · 📦 9 · ⏱️ 30.01.2026):

pip install quippy-ase

- [Docker Hub](https://hub.docker.com/r/libatomsquip/quip) (📥 10K · ⭐ 4 · ⏱️ 24.04.2023):

docker pull libatomsquip/quip

JARVIS-Tools (🥈24 · ⭐ 370) - About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications:.. Custom

- [GitHub](https://github.com/usnistgov/jarvis) (👨‍💻 16 · 🔀 140 · 📋 94 - 52% open · ⏱️ 25.08.2025):

git clone https://github.com/usnistgov/jarvis

- [PyPi](https://pypi.org/project/jarvis-tools) (📥 220K / month · 📦 40 · ⏱️ 29.01.2026):

pip install jarvis-tools

- [Conda](https://anaconda.org/conda-forge/jarvis-tools) (📥 130K · ⏱️ 02.01.2026):

conda install -c conda-forge jarvis-tools

MAML (🥈21 · ⭐ 450) - Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc. BSD-3

- [GitHub](https://github.com/materialyzeai/maml) (👨‍💻 39 · 🔀 93 · 📦 17 · 📋 76 - 14% open · ⏱️ 14.02.2026):

git clone https://github.com/materialsvirtuallab/maml

- [PyPi](https://pypi.org/project/maml) (📥 400 / month · 📦 3 · ⏱️ 02.04.2025):

pip install maml

Molfeat (🥈20 · ⭐ 220 · 💤) - molfeat - the hub for all your molecular featurizers. Apache-2 cheminformatics rep-eng rep-learn generative language-models pretrained

- [GitHub](https://github.com/datamol-io/molfeat) (👨‍💻 19 · 🔀 27 · 📦 73 · 📋 61 - 27% open · ⏱️ 27.05.2025):

git clone https://github.com/datamol-io/molfeat

- [PyPi](https://pypi.org/project/molfeat) (📥 4.6K / month · 📦 13 · ⏱️ 27.05.2025):

pip install molfeat

- [Conda](https://anaconda.org/conda-forge/molfeat) (📥 42K · ⏱️ 30.05.2025):

conda install -c conda-forge molfeat

Scikit-Matter (🥈19 · ⭐ 91) - A collection of scikit-learn compatible utilities that implement methods born out of the materials science and.. BSD-3 scikit-learn

- [GitHub](https://github.com/scikit-learn-contrib/scikit-matter) (👨‍💻 20 · 🔀 25 · 📥 19 · 📋 81 - 23% open · ⏱️ 19.01.2026):

git clone https://github.com/scikit-learn-contrib/scikit-matter

- [PyPi](https://pypi.org/project/skmatter) (📥 2.5K / month · 📦 5 · ⏱️ 06.01.2026):

pip install skmatter

- [Conda](https://anaconda.org/conda-forge/skmatter) (📥 6K · ⏱️ 08.01.2026):

conda install -c conda-forge skmatter

AtomAI (🥈18 · ⭐ 220 · 💤) - Deep and Machine Learning for Microscopy. MIT computer-vision USL experimental-data

- [GitHub](https://github.com/pycroscopy/atomai) (👨‍💻 6 · 🔀 41 · 📦 13 · 📋 20 - 55% open · ⏱️ 23.06.2025):

git clone https://github.com/pycroscopy/atomai

- [PyPi](https://pypi.org/project/atomai) (📥 1K / month · 📦 1 · ⏱️ 23.06.2025):

pip install atomai

MLatom (🥉15 · ⭐ 140) - AI-enhanced computational chemistry. MIT UIP ML-IAP MD ML-DFT ML-ESM transfer-learning active-learning spectroscopy structure-optimization

- [GitHub](https://github.com/dralgroup/mlatom) (👨‍💻 6 · 🔀 17 · 📋 8 - 37% open · ⏱️ 13.02.2026):

git clone https://github.com/dralgroup/mlatom

- [PyPi](https://pypi.org/project/mlatom) (📥 1.8K / month · ⏱️ 13.02.2026):

pip install mlatom

MAST-ML (🥉15 · ⭐ 130) - MAterials Simulation Toolkit for Machine Learning (MAST-ML). MIT

- [GitHub](https://github.com/uw-cmg/MAST-ML) (👨‍💻 19 · 🔀 61 · 📥 160 · 📋 220 - 14% open · ⏱️ 10.10.2025):

git clone https://github.com/uw-cmg/MAST-ML

Artificial Intelligence for Science (AIRS) (🥉13 · ⭐ 730) - Artificial Intelligence Research for Science (AIRS). GPL-3.0 license rep-learn generative ML-IAP MD ML-DFT ML-WFT biomolecules

- [GitHub](https://github.com/divelab/AIRS) (👨‍💻 36 · 🔀 89 · 📋 32 - 18% open · ⏱️ 22.02.2026):

git clone https://github.com/divelab/AIRS

Show 12 hidden projects...

- QML (🥈17 · ⭐ 210 · 💀) - QML: Quantum Machine Learning. MIT - Automatminer (🥈17 · ⭐ 170 · 💀) - An automatic engine for predicting materials properties. Custom autoML - XenonPy (🥉16 · ⭐ 150 · 💀) - XenonPy is a Python Software for Materials Informatics. BSD-3 - AMPtorch (🥉11 · ⭐ 61 · 💀) - AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch. GPL-3.0 - OpenChem (🥉10 · ⭐ 740 · 💀) - OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research. MIT - JAXChem (🥉7 · ⭐ 81 · 💀) - JAXChem is a JAX-based deep learning library for complex and versatile chemical modeling. MIT - uncertainty_benchmarking (🥉7 · ⭐ 42 · 💀) - Various code/notebooks to benchmark different ways we could estimate uncertainty in ML predictions. Unlicensed benchmarking probabilistic - torchchem (🥉7 · ⭐ 38 · 💀) - An experimental repo for experimenting with PyTorch models. MIT - Equisolve (🥉6 · ⭐ 5 · 💀) - A ML toolkit package utilizing the metatensor data format to build models for the prediction of equivariant properties.. BSD-3 ML-IAP - quantum-structure-ml (🥉3 · ⭐ 3 · 💀) - Multi-class classification model for predicting the magnetic order of magnetic structures and a binary classification.. Unlicensed magnetism benchmarking - ACEatoms (🥉3 · ⭐ 2 · 💀) - Generic code for modelling atomic properties using ACE. Custom Julia - Magpie (🥉3) - Materials Agnostic Platform for Informatics and Exploration (Magpie). MIT Java

Generative Models

Projects that implement generative models for atomistic ML.

GT4SD (🥇17 · ⭐ 370) - GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process. MIT pretrained drug-discovery rep-learn

- [GitHub](https://github.com/GT4SD/gt4sd-core) (👨‍💻 20 · 🔀 78 · 📋 120 - 11% open · ⏱️ 18.09.2025):

git clone https://github.com/GT4SD/gt4sd-core

- [PyPi](https://pypi.org/project/gt4sd) (📥 2.5K / month · ⏱️ 19.02.2025):

pip install gt4sd

SLICES and MatterGPT (🥈14 · ⭐ 140) - SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT,.. LGPL-2.1 rep-eng language-models transformer materials-discovery structure-prediction

- [GitHub](https://github.com/xiaohang007/SLICES) (👨‍💻 2 · 🔀 53 · 📦 5 · 📋 17 - 23% open · ⏱️ 23.01.2026):

git clone https://github.com/xiaohang007/SLICES

- [PyPi](https://pypi.org/project/slices) (📥 460 / month · 📦 1 · ⏱️ 14.10.2025):

pip install slices

- [Docker Hub](https://hub.docker.com/r/xiaohang07/slices) (📥 710 · ⭐ 1 · ⏱️ 14.10.2025):

docker pull xiaohang07/slices

synspace (🥈12 · ⭐ 48 · 💤) - Synthesis generative model. MIT

- [GitHub](https://github.com/whitead/synspace) (👨‍💻 2 · 🔀 4 · 📦 36 · 📋 4 - 50% open · ⏱️ 24.04.2025):

git clone https://github.com/whitead/synspace

- [PyPi](https://pypi.org/project/synspace) (📥 2.1K / month · 📦 4 · ⏱️ 24.04.2025):

pip install synspace

SchNetPack G-SchNet (🥈11 · ⭐ 64) - G-SchNet extension for SchNetPack. MIT

- [GitHub](https://github.com/atomistic-machine-learning/schnetpack-gschnet) (👨‍💻 3 · 🔀 11 · ⏱️ 13.11.2025):

git clone https://github.com/atomistic-machine-learning/schnetpack-gschnet

SiMGen (🥈9 · ⭐ 28) - Zero Shot Molecular Generation via Similarity Kernels. MIT viz

- [GitHub](https://github.com/RokasEl/simgen) (👨‍💻 4 · 🔀 5 · 📦 2 · 📋 5 - 20% open · ⏱️ 27.08.2025):

git clone https://github.com/RokasEl/simgen

- [PyPi](https://pypi.org/project/simgen) (📥 17 / month · ⏱️ 13.12.2024):

pip install simgen

Show 12 hidden projects...

- MoLeR (🥇15 · ⭐ 320 · 💀) - Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation. MIT - PMTransformer (🥈14 · ⭐ 120 · 💀) - Universal Transfer Learning in Porous Materials, including MOFs. MIT transfer-learning pretrained transformer - EDM (🥈9 · ⭐ 550 · 💀) - E(3) Equivariant Diffusion Model for Molecule Generation in 3D. MIT - G-SchNet (🥉8 · ⭐ 140 · 💀) - G-SchNet - a generative model for 3d molecular structures. MIT - bVAE-IM (🥉8 · ⭐ 14 · 💀) - Implementation of Chemical Design with GPU-based Ising Machine. MIT QML single-paper - molecular-vae (🥉7 · ⭐ 70 · 💀) - Pytorch implementation of the paper Automatic Chemical Design Using a Data-Driven Continuous Representation of.. MIT rep-learn cheminformatics single-paper - cG-SchNet (🥉7 · ⭐ 65 · 💀) - cG-SchNet - a conditional generative neural network for 3d molecular structures. MIT - COATI (🥉6 · ⭐ 120 · 💀) - COATI: multi-modal contrastive pre-training for representing and traversing chemical space. Apache-2 drug-discovery multimodal pretrained rep-learn - rxngenerator (🥉6 · ⭐ 14 · 💀) - A generative model for molecular generation via multi-step chemical reactions. MIT - MolSLEPA (🥉5 · ⭐ 7 · 💀) - Interpretable Fragment-based Molecule Design with Self-learning Entropic Population Annealing. MIT XAI - Mapping out phase diagrams with generative classifiers (🥉4 · ⭐ 8 · 💀) - Repository for our ``Mapping out phase diagrams with generative models paper. MIT phase-transition - descriptors-inversion (🥉4 · ⭐ 6 · 💀) - Local inversion of the chemical environment representations. MIT rep-eng single-paper

Interatomic Potentials (ML-IAP)

Machine learning interatomic potentials (aka ML-IAP, MLIAP, MLIP, MLP) and force fields (ML-FF) for molecular dynamics.

fairchem (🥇31 · ⭐ 2K) - FAIR Chemistrys library of machine learning methods for chemistry. Formerly known as Open Catalyst Project. MIT pretrained UIP rep-learn catalysis

- [GitHub](https://github.com/facebookresearch/fairchem) (👨‍💻 66 · 🔀 440 · 📋 540 - 2% open · ⏱️ 26.02.2026):

git clone https://github.com/FAIR-Chem/fairchem

- [PyPi](https://pypi.org/project/fairchem-core) (📥 190K / month · 📦 37 · ⏱️ 26.02.2026):

pip install fairchem-core

DeePMD-kit (🥇30 · ⭐ 1.9K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 MD workflows C++

- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 580 · 📥 68K · 📦 46 · 📋 1K - 11% open · ⏱️ 26.02.2026):

git clone https://github.com/deepmodeling/deepmd-kit

- [PyPi](https://pypi.org/project/deepmd-kit) (📥 11K / month · 📦 17 · ⏱️ 12.12.2025):

pip install deepmd-kit

- [Conda](https://anaconda.org/deepmodeling/deepmd-kit) (📥 3.5K · ⏱️ 25.03.2025):

conda install -c deepmodeling deepmd-kit

- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 5K · ⭐ 1 · ⏱️ 27.12.2025):

docker pull deepmodeling/deepmd-kit

NequIP (🥇30 · ⭐ 870 · 📈) - NequIP is a code for building E(3)-equivariant interatomic potentials. MIT

- [GitHub](https://github.com/mir-group/nequip) (👨‍💻 38 · 🔀 200 · 📦 43 · 📋 120 - 5% open · ⏱️ 24.02.2026):

git clone https://github.com/mir-group/nequip

- [PyPi](https://pypi.org/project/nequip) (📥 350K / month · 📦 14 · ⏱️ 09.01.2026):

pip install nequip

- [Conda](https://anaconda.org/conda-forge/nequip) (📥 20K · ⏱️ 09.01.2026):

conda install -c conda-forge nequip

TorchANI (🥇25 · ⭐ 540) - TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network.. MIT

- [GitHub](https://github.com/aiqm/torchani) (👨‍💻 22 · 🔀 140 · 📦 69 · 📋 180 - 4% open · ⏱️ 15.12.2025):

git clone https://github.com/aiqm/torchani

- [PyPi](https://pypi.org/project/torchani) (📥 4.2K / month · 📦 15 · ⏱️ 17.11.2025):

pip install torchani

- [Conda](https://anaconda.org/conda-forge/torchani) (📥 1.2M · ⏱️ 23.01.2026):

conda install -c conda-forge torchani

Metatrain (🥇24 · ⭐ 59) - Train, fine-tune, and manipulate machine learning models for atomistic systems. BSD-3 workflows benchmarking rep-eng rep-learn

- [GitHub](https://github.com/metatensor/metatrain) (👨‍💻 30 · 🔀 23 · 📥 71 · 📦 13 · 📋 290 - 30% open · ⏱️ 23.02.2026):

git clone https://github.com/metatensor/metatrain

- [PyPi](https://pypi.org/project/metatrain) (📥 11K / month · 📦 3 · ⏱️ 09.01.2026):

pip install metatrain

MACE (🥇23 · ⭐ 1.1K · 📈) - MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing. MIT

- [GitHub](https://github.com/ACEsuit/mace) (👨‍💻 69 · 🔀 380 · 📋 570 - 20% open · ⏱️ 22.02.2026):

git clone https://github.com/ACEsuit/mace

MatCalc (🥇23 · ⭐ 130) - A python library for calculating materials properties from the PES. BSD-3 workflows benchmarking UIP pretrained model-repository

- [GitHub](https://github.com/materialyzeai/matcalc) (👨‍💻 22 · 🔀 32 · 📦 21 · 📋 28 - 21% open · ⏱️ 17.02.2026):

git clone https://github.com/materialsvirtuallab/matcalc

- [PyPi](https://pypi.org/project/matcalc) (📥 2.4K / month · 📦 10 · ⏱️ 09.12.2025):

pip install matcalc

TorchMD-NET (🥇22 · ⭐ 470) - Training neural network potentials. MIT MD rep-learn transformer pretrained

- [GitHub](https://github.com/torchmd/torchmd-net) (👨‍💻 19 · 🔀 95 · 📥 180 · 📋 130 - 30% open · ⏱️ 25.02.2026):

git clone https://github.com/torchmd/torchmd-net

- [Conda](https://anaconda.org/conda-forge/torchmd-net) (📥 760K · ⏱️ 28.01.2026):

conda install -c conda-forge torchmd-net

janus-core (🥈21 · ⭐ 44) - Tools for machine learnt interatomic potentials. BSD-3 benchmarking workflows structure-optimization MD transport-phenomena

- [GitHub](https://github.com/stfc/janus-core) (👨‍💻 11 · 🔀 17 · 📥 240 · 📦 14 · 📋 300 - 15% open · ⏱️ 21.02.2026):

git clone https://github.com/stfc/janus-core

- [PyPi](https://pypi.org/project/janus-core) (📥 5.8K / month · 📦 6 · ⏱️ 20.02.2026):

pip install janus-core

apax (🥈20 · ⭐ 35) - A flexible and performant framework for training machine learning potentials. MIT

- [GitHub](https://github.com/apax-hub/apax) (👨‍💻 11 · 🔀 7 · 📦 6 · 📋 170 - 16% open · ⏱️ 24.02.2026):

git clone https://github.com/apax-hub/apax

- [PyPi](https://pypi.org/project/apax) (📥 560 / month · 📦 2 · ⏱️ 23.02.2026):

pip install apax

KLIFF (🥈19 · ⭐ 40) - KIM-based Learning-Integrated Fitting Framework for interatomic potentials. LGPL-2.1 probabilistic workflows

- [GitHub](https://github.com/openkim/kliff) (👨‍💻 14 · 🔀 21 · 📦 4 · 📋 57 - 42% open · ⏱️ 28.01.2026):

git clone https://github.com/openkim/kliff

- [PyPi](https://pypi.org/project/kliff) (📥 110 / month · ⏱️ 11.04.2025):

pip install kliff

- [Conda](https://anaconda.org/conda-forge/kliff) (📥 210K · ⏱️ 22.04.2025):

conda install -c conda-forge kliff

sGDML (🥈17 · ⭐ 160 · 💤) - sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model. MIT

- [GitHub](https://github.com/stefanch/sGDML) (👨‍💻 8 · 🔀 41 · 📦 13 · 📋 22 - 50% open · ⏱️ 13.06.2025):

git clone https://github.com/stefanch/sGDML

- [PyPi](https://pypi.org/project/sgdml) (📥 600 / month · 📦 2 · ⏱️ 13.06.2025):

pip install sgdml

Autoplex (🥈17 · ⭐ 140) - Code for automated fitting of machine learned interatomic potentials. GPL-3.0 benchmarking workflows

- [GitHub](https://github.com/autoatml/autoplex) (👨‍💻 14 · 🔀 22 · 📦 2 · 📋 140 - 26% open · ⏱️ 26.02.2026):

git clone https://github.com/autoatml/autoplex

- [PyPi](https://pypi.org/project/autoplex) (📥 290 / month · ⏱️ 14.11.2025):

pip install autoplex

Allegro (🥈16 · ⭐ 460) - Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic.. MIT

- [GitHub](https://github.com/mir-group/allegro) (👨‍💻 8 · 🔀 72 · 📋 51 - 3% open · ⏱️ 22.12.2025):

git clone https://github.com/mir-group/allegro

Graph-PES (🥈16 · ⭐ 120) - train and use graph-based ML models of potential energy surfaces. MIT rep-learn UIP MD pretrained

- [GitHub](https://github.com/vldgroup/graph-pes) (👨‍💻 5 · 🔀 12 · 📦 3 · 📋 17 - 17% open · ⏱️ 20.02.2026):

git clone https://github.com/jla-gardner/graph-pes

- [PyPi](https://pypi.org/project/graph-pes) (📥 4.3K / month · 📦 2 · ⏱️ 20.02.2026):

pip install graph-pes

MLIPX - Machine-Learned Interatomic Potential eXploration (🥈15 · ⭐ 96) - Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned.. MIT benchmarking viz workflows

- [GitHub](https://github.com/basf/mlipx) (👨‍💻 5 · 🔀 7 · 📦 6 · 📋 18 - 33% open · ⏱️ 16.10.2025):

git clone https://github.com/basf/mlipx

- [PyPi](https://pypi.org/project/mlipx) (📥 4.9K / month · ⏱️ 09.06.2025):

pip install mlipx

Neural Force Field (🥈14 · ⭐ 280) - Neural Network Force Field based on PyTorch. MIT pretrained

- [GitHub](https://github.com/learningmatter-mit/NeuralForceField) (👨‍💻 45 · 🔀 61 · 📋 23 - 21% open · ⏱️ 10.02.2026):

git clone https://github.com/learningmatter-mit/NeuralForceField

NNPOps (🥈14 · ⭐ 100) - High-performance operations for neural network potentials. MIT MD C++

- [GitHub](https://github.com/openmm/NNPOps) (👨‍💻 11 · 🔀 19 · 📋 66 - 42% open · ⏱️ 04.02.2026):

git clone https://github.com/openmm/NNPOps

- [Conda](https://anaconda.org/conda-forge/nnpops) (📥 650K · ⏱️ 22.04.2025):

conda install -c conda-forge nnpops

calorine (🥈14 · ⭐ 15) - A Python package for constructing and sampling neuroevolution potential models. https://doi.org/10.21105/joss.06264. Custom

- [PyPi](https://pypi.org/project/calorine) (📥 170K / month · 📦 8 · ⏱️ 24.01.2026):

pip install calorine

- [GitLab](https://gitlab.com/materials-modeling/calorine) (🔀 6 · 📋 110 - 6% open · ⏱️ 24.01.2026):

git clone https://gitlab.com/materials-modeling/calorine

n2p2 (🥈13 · ⭐ 240 · 💤) - n2p2 - A Neural Network Potential Package. GPL-3.0 C++

- [GitHub](https://github.com/CompPhysVienna/n2p2) (👨‍💻 13 · 🔀 88 · 📋 160 - 47% open · ⏱️ 17.03.2025):

git clone https://github.com/CompPhysVienna/n2p2

PiNN (🥈13 · ⭐ 120) - A Python library for building atomic neural networks. BSD-3

- [GitHub](https://github.com/Teoroo-CMC/PiNN) (👨‍💻 6 · 🔀 38 · 📋 7 - 14% open · ⏱️ 22.12.2025):

git clone https://github.com/Teoroo-CMC/PiNN

- [Docker Hub](https://hub.docker.com/r/teoroo/pinn) (📥 650 · ⏱️ 22.12.2025):

docker pull teoroo/pinn

wfl (🥈13 · ⭐ 43) - Workflow is a Python toolkit for building interatomic potential creation and atomistic simulation workflows. GPL-2.0 workflows HTC

- [GitHub](https://github.com/libAtoms/workflow) (👨‍💻 20 · 🔀 20 · 📦 5 · 📋 170 - 42% open · ⏱️ 22.12.2025):

git clone https://github.com/libAtoms/workflow

MACE-Jax (🥈12 · ⭐ 87) - Equivariant machine learning interatomic potentials in JAX. MIT

- [GitHub](https://github.com/ACEsuit/mace-jax) (👨‍💻 5 · 🔀 20 · 📋 10 - 50% open · ⏱️ 10.02.2026):

git clone https://github.com/ACEsuit/mace-jax

aiida-mlip (🥈12 · ⭐ 16) - machine learning interatomic potentials aiida plugin. BSD-3 workflows structure-optimization MD

- [GitHub](https://github.com/ElliottKasoar/aiida-mlip) (👨‍💻 7 · 🔀 10 · ⏱️ 30.01.2026):

git clone https://github.com/ElliottKasoar/aiida-mlip

- [PyPi](https://pypi.org/project/aiida-mlip) (📥 520 / month · ⏱️ 17.11.2025):

pip install aiida-mlip

tinker-hp (🥉11 · ⭐ 100) - Tinker-HP: High-Performance Massively Parallel Tinker for CPUs & GPUs. Custom

- [GitHub](https://github.com/TinkerTools/tinker-hp) (👨‍💻 12 · 🔀 26 · 📋 28 - 25% open · ⏱️ 26.01.2026):

git clone https://github.com/TinkerTools/tinker-hp

DeepMD-GNN (🥉10 · ⭐ 52) - DeePMD-kit plugin for various graph neural network models. LGPL-3.0 rep-learn MD UIP C++

- [GitHub](https://github.com/deepmodeling/deepmd-gnn) (👨‍💻 7 · 🔀 8 · 📋 22 - 50% open · ⏱️ 13.02.2026):

git clone https://github.com/deepmodeling/deepmd-gnn

PyNEP (🥉9 · ⭐ 68) - A python interface of the machine learning potential NEP used in GPUMD. MIT

- [GitHub](https://github.com/bigd4/PyNEP) (👨‍💻 10 · 🔀 17 · 📋 14 - 42% open · ⏱️ 27.10.2025):

git clone https://github.com/bigd4/PyNEP

Point Edge Transformer (PET) (🥉9 · ⭐ 33 · 💤) - Point Edge Transformer. MIT rep-learn transformer

- [GitHub](https://github.com/spozdn/pet) (👨‍💻 9 · 🔀 7 · ⏱️ 18.03.2025):

git clone https://github.com/spozdn/pet

ACE1.jl (🥉9 · ⭐ 23 · 💤) - Atomic Cluster Expansion for Modelling Invariant Atomic Properties. Custom Julia

- [GitHub](https://github.com/ACEsuit/ACE1.jl) (👨‍💻 9 · 🔀 7 · 📋 46 - 47% open · ⏱️ 15.04.2025):

git clone https://github.com/ACEsuit/ACE1.jl

TurboGAP (🥉9 · ⭐ 21) - The TurboGAP code. Custom Fortran

- [GitHub](https://github.com/mcaroba/turbogap) (👨‍💻 8 · 🔀 12 · 📋 12 - 66% open · ⏱️ 25.02.2026):

git clone https://github.com/mcaroba/turbogap

ACEfit (🥉9 · ⭐ 8) - MIT Julia

- [GitHub](https://github.com/ACEsuit/ACEfit.jl) (👨‍💻 9 · 🔀 8 · 📋 58 - 39% open · ⏱️ 03.12.2025):

git clone https://github.com/ACEsuit/ACEfit.jl

EquiformerV2 (🥉8 · ⭐ 320 · 💤) - [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations. MIT pretrained UIP rep-learn

- [GitHub](https://github.com/atomicarchitects/equiformer_v2) (👨‍💻 2 · 🔀 44 · 📋 27 - 66% open · ⏱️ 11.02.2025):

git clone https://github.com/atomicarchitects/equiformer_v2

GAP (🥉8 · ⭐ 44) - Gaussian Approximation Potential (GAP). Custom

- [GitHub](https://github.com/libAtoms/GAP) (👨‍💻 13 · 🔀 20 · ⏱️ 03.01.2026):

git clone https://github.com/libAtoms/GAP

ALF (🥉8 · ⭐ 39) - A framework for performing active learning for training machine-learned interatomic potentials. Custom active-learning

- [GitHub](https://github.com/lanl/ALF) (👨‍💻 6 · 🔀 13 · ⏱️ 10.11.2025):

git clone https://github.com/lanl/alf

Asparagus (🥉7 · ⭐ 12) - Program Package for Sampling, Training and Applying ML-based Potential models https://doi.org/10.48550/arXiv.2407.15175. MIT workflows sampling MD

- [GitHub](https://github.com/MMunibas/Asparagus) (👨‍💻 11 · 🔀 6 · ⏱️ 25.02.2026):

git clone https://github.com/MMunibas/Asparagus

MLXDM (🥉6 · ⭐ 9 · 💤) - A Neural Network Potential with Rigorous Treatment of Long-Range Dispersion https://doi.org/10.1039/D2DD00150K. MIT long-range

- [GitHub](https://github.com/RowleyGroup/MLXDM) (👨‍💻 7 · 🔀 2 · ⏱️ 12.03.2025):

git clone https://github.com/RowleyGroup/MLXDM

Show 42 hidden projects...

- MEGNet (🥇22 · ⭐ 550 · 💀) - Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals. BSD-3 multifidelity - PyXtalFF (🥈15 · ⭐ 94 · 💀) - Machine Learning Interatomic Potential Predictions. MIT - Ultra-Fast Force Fields (UF3) (🥈15 · ⭐ 70 · 💀) - UF3: a python library for generating ultra-fast interatomic potentials. Apache-2 - Pacemaker (🥈13 · ⭐ 100 · 💀) - Python package for fitting atomic cluster expansion (ACE) potentials. Custom - TensorMol (🥈12 · ⭐ 280 · 💀) - Tensorflow + Molecules = TensorMol. GPL-3.0 single-paper - ANI-1 (🥈12 · ⭐ 230 · 💀) - ANI-1 neural net potential with python interface (ASE). MIT - So3krates (MLFF) (🥈12 · ⭐ 130 · 💀) - Build neural networks for machine learning force fields with JAX. MIT - SIMPLE-NN (🥈12 · ⭐ 48 · 💀) - SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE version Neural Network). GPL-3.0 - CCS_fit (🥉10 · ⭐ 10 · 💀) - Curvature Constrained Splines. GPL-3.0 - DimeNet (🥉9 · ⭐ 350 · 💀) - DimeNet and DimeNet++ models, as proposed in Directional Message Passing for Molecular Graphs (ICLR 2020) and Fast and.. Custom - SchNet (🥉9 · ⭐ 280 · 💀) - SchNet - a deep learning architecture for quantum chemistry. MIT - GemNet (🥉9 · ⭐ 220 · 💀) - GemNet model in PyTorch, as proposed in GemNet: Universal Directional Graph Neural Networks for Molecules (NeurIPS.. Custom - ACE.jl (🥉9 · ⭐ 67 · 💀) - Parameterisation of Equivariant Properties of Particle Systems. Custom Julia - NNsforMD (🥉9 · ⭐ 11 · 💀) - Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings. MIT - AIMNet (🥉8 · ⭐ 110 · 💀) - Atoms In Molecules Neural Network Potential. MIT single-paper - SIMPLE-NN v2 (🥉8 · ⭐ 43 · 💀) - SIMPLE-NN is an open package that constructs Behler-Parrinello-type neural-network interatomic potentials from ab.. GPL-3.0 - Atomistic Adversarial Attacks (🥉8 · ⭐ 40 · 💀) - Code for performing adversarial attacks on atomistic systems using NN potentials. MIT probabilistic - SNAP (🥉8 · ⭐ 38 · 💀) - Repository for spectral neighbor analysis potential (SNAP) model development. BSD-3 - MEGNetSparse (🥉8 · ⭐ 5 · 💀) - A library imlementing a graph neural network with sparse representation from Code for Kazeev, N., Al-Maeeni, A.R.,.. MIT material-defect - PhysNet (🥉7 · ⭐ 110 · 💀) - Code for training PhysNet models. MIT electrostatics - MLIP-3 (🥉6 · ⭐ 27 · 💀) - MLIP-3: Active learning on atomic environments with Moment Tensor Potentials (MTP). BSD-2 C++ - testing-framework (🥉6 · ⭐ 11 · 💀) - The purpose of this repository is to aid the testing of a large number of interatomic potentials for a variety of.. Unlicensed benchmarking - PANNA (🥉6 · ⭐ 11 · 💀) - A package to train and validate all-to-all connected network models for BP[1] and modified-BP[2] type local atomic.. MIT benchmarking - BPNET (🥉6 · ⭐ 3 · 💤) - Fast Behler-Parrinello type neural networks in Fortran2008. MIT rep-eng Fortran - ACE1Pack.jl (🥉6 · ⭐ 1 · 💀) - Provides convenience functionality for the usage of ACE1.jl, ACEfit.jl, JuLIP.jl for fitting interatomic potentials.. MIT Julia - glp (🥉5 · ⭐ 26 · 💀) - tools for graph-based machine-learning potentials in jax. MIT - NequIP-JAX (🥉5 · ⭐ 23 · 💀) - JAX implementation of the NequIP interatomic potential. Unlicensed - Allegro-Legato (🥉5 · ⭐ 21 · 💀) - An extension of Allegro with enhanced robustness and time-to-failure. MIT MD - TensorPotential (🥉5 · ⭐ 13 · 💀) - Tensorpotential is a TensorFlow based tool for development, fitting ML interatomic potentials from electronic.. Custom - GN-MM (🥉5 · ⭐ 11 · 💀) - The Gaussian Moment Neural Network (GM-NN) package developed for large-scale atomistic simulations employing atomistic.. MIT active-learning MD rep-eng magnetism - Alchemical learning (🥉5 · ⭐ 2 · 💀) - Code for the Modeling high-entropy transition metal alloys with alchemical compression article. BSD-3 rep-eng Defects & Disorder - MatML (🥉4 · ⭐ 9) - Full MatML Docker image, including MatGL, MatCalc, MatPES and LAMMPS with ML-GNNP and ML-SNAP. BSD-3 MD UIP rep-learn pretrained - PeriodicPotentials (🥉4 · 💀) - A Periodic table app that displays potentials based on the selected elements. MIT community-resource viz JavaScript - Allegro-JAX (🥉3 · ⭐ 22 · 💤) - JAX implementation of the Allegro interatomic potential. MIT - ACE Workflows (🥉3 · 💀) - Workflow Examples for ACE Models. Unlicensed Julia workflows - PyFLAME (🥉3 · 💀) - An automated approach for developing neural network interatomic potentials with FLAME.. Unlicensed active-learning structure-prediction structure-optimization rep-eng Fortran - SingleNN (🥉2 · ⭐ 9 · 💀) - An efficient package for training and executing neural-network interatomic potentials. Unlicensed C++ - mag-ace (🥉2 · ⭐ 5 · 💤) - Magnetic ACE potential. FORTRAN interface for LAMMPS SPIN package. Unlicensed magnetism MD Fortran - AisNet (🥉2 · ⭐ 3 · 💀) - A Universal Interatomic Potential Neural Network with Encoded Local Environment Features.. MIT - RuNNer (🥉2) - The RuNNer Neural Network Energy Representation is a Fortran-based framework for the construction of Behler-.. GPL-3.0 Fortran - nnp-pre-training (🥉1 · ⭐ 6 · 💀) - Synthetic pre-training for neural-network interatomic potentials. Unlicensed pretrained MD - mlp (🥉1 · ⭐ 1 · 💀) - Proper orthogonal descriptors for efficient and accurate interatomic potentials... Unlicensed Julia

Language Models

Projects that use (large) language models (LMs, LLMs) or natural language procesing (NLP) techniques for atomistic ML.

🔗 MaCBench Leaderboard - Leaderboard for multimodal language models for chemistry & materials research. community-resource benchmarking datasets

ChemBench (🥇18 · ⭐ 130) - How good are LLMs at chemistry?. MIT benchmarking multimodal

- [GitHub](https://github.com/lamalab-org/chembench) (👨‍💻 15 · 🔀 16 · 📦 3 · 📋 340 - 16% open · ⏱️ 11.09.2025):

git clone https://github.com/lamalab-org/chembench

- [PyPi](https://pypi.org/project/chembench) (📥 1K / month · ⏱️ 27.02.2025):

pip install chembench

paper-qa (🥇17 · ⭐ 8.1K) - LLM Chain for answering questions from docs. Unlicensed ai-agent

- [GitHub]() (🔀 820):

git clone https://github.com/whitead/paper-qa

- [PyPi](https://pypi.org/project/paper-qa) (📥 29K / month · 📦 22 · ⏱️ 17.02.2026):

pip install paper-qa

ChatMOF (🥈12 · ⭐ 110 · 💤) - Predict and Inverse design for metal-organic framework with large-language models (llms). MIT generative

- [GitHub](https://github.com/Yeonghun1675/ChatMOF) (👨‍💻 2 · 🔀 21 · 📦 3 · ⏱️ 15.05.2025):

git clone https://github.com/Yeonghun1675/ChatMOF

- [PyPi](https://pypi.org/project/chatmof) (📥 520 / month · ⏱️ 01.07.2024):

pip install chatmof

AtomGPT (🥈11 · ⭐ 50 · 🐣) - https://atomgpt.org. Custom generative pretrained transformer

- [GitHub](https://github.com/usnistgov/atomgpt) (👨‍💻 7 · 🔀 10 · ⏱️ 21.08.2025):

git clone https://github.com/usnistgov/atomgpt

- [PyPi](https://pypi.org/project/atomgpt) (📥 200 / month · 📦 1 · ⏱️ 22.03.2025):

pip install atomgpt

LLaMP (🥉8 · ⭐ 89) - [EMNLP 25] A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials.. BSD-3 multimodal RAG materials-discovery pretrained JavaScript Python

- [GitHub](https://github.com/chiang-yuan/llamp) (👨‍💻 6 · 🔀 14 · 📋 25 - 32% open · ⏱️ 11.11.2025):

git clone https://github.com/chiang-yuan/llamp

LLM-Prop (🥉8 · ⭐ 52) - A repository for the LLM-Prop implementation. MIT

- [GitHub](https://github.com/vertaix/LLM-Prop) (👨‍💻 7 · 🔀 11 · 📋 3 - 66% open · ⏱️ 31.01.2026):

git clone https://github.com/vertaix/LLM-Prop

LLM4Chem (🥉6 · ⭐ 110 · 💤) - Official code repo for the paper LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale,.. MIT cheminformatics datasets

- [GitHub](https://github.com/OSU-NLP-Group/LLM4Chem) (👨‍💻 2 · 🔀 18 · ⏱️ 09.06.2025):

git clone https://github.com/OSU-NLP-Group/LLM4Chem

Show 17 hidden projects...

- OpenBioML ChemNLP (🥇17 · ⭐ 170 · 💀) - ChemNLP project. MIT datasets - ChemCrow (🥈16 · ⭐ 880 · 💀) - Open source package for the accurate solution of reasoning-intensive chemical tasks. MIT ai-agent - ChemDataExtractor (🥈16 · ⭐ 350 · 💀) - Automatically extract chemical information from scientific documents. MIT literature-data - mat2vec (🥈12 · ⭐ 630 · 💀) - Supplementary Materials for Tshitoyan et al. Unsupervised word embeddings capture latent knowledge from materials.. MIT rep-learn - gptchem (🥈12 · ⭐ 260 · 💀) - Use GPT-3 to solve chemistry problems. MIT - nlcc (🥈11 · ⭐ 46 · 💀) - Natural language computational chemistry command line interface. MIT single-paper - NIST ChemNLP (🥈11 · ⭐ 28 · 🐣) - chemnlp. MIT literature-data - MoLFormer (🥉9 · ⭐ 380 · 💀) - Repository for MolFormer. Apache-2 transformer pretrained drug-discovery - MolSkill (🥉9 · ⭐ 120 · 💀) - Extracting medicinal chemistry intuition via preference machine learning. MIT drug-discovery recommender - chemlift (🥉7 · ⭐ 45 · 💀) - Language-interfaced fine-tuning for chemistry. MIT - BERT-PSIE-TC (🥉6 · ⭐ 15 · 💀) - A dataset of Curie temperatures automatically extracted from scientific literature with the use of the BERT-PSIE.. MIT magnetism - crystal-text-llm (🥉5 · ⭐ 120 · 💀) - Large language models to generate stable crystals. CC-BY-NC-4.0 materials-discovery - SciBot (🥉5 · ⭐ 31 · 💀) - SciBot is a simple demo of building a domain-specific chatbot for science. Unlicensed ai-agent - Cephalo (🥉5 · ⭐ 12 · 💀) - Multimodal Vision-Language Models for Bio-Inspired Materials Analysis and Design. Apache-2 generative multimodal pretrained - MAPI_LLM (🥉5 · ⭐ 9 · 💀) - A LLM application developed during the LLM March MADNESS Hackathon https://doi.org/10.1039/D3DD00113J. MIT ai-agent dataset - CatBERTa (🥉4 · ⭐ 27 · 💀) - Large Language Model for Catalyst Property Prediction. Unlicensed transformer catalysis - ChemDataWriter (🥉3 · ⭐ 14 · 💀) - ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area. MIT literature-data

Materials Discovery

Projects that implement materials discovery methods using atomistic ML.

SMACT (🥇24 · ⭐ 130) - Python package to aid materials design and informatics. MIT HTC structure-prediction electrostatics

- [GitHub](https://github.com/WMD-group/SMACT) (👨‍💻 45 · 🔀 29 · 📦 70 · 📋 64 - 9% open · ⏱️ 24.02.2026):

git clone https://github.com/WMD-group/SMACT

- [PyPi](https://pypi.org/project/smact) (📥 9.8K / month · 📦 9 · ⏱️ 31.07.2025):

pip install smact

- [Conda](https://anaconda.org/conda-forge/smact) (📥 9.4K · ⏱️ 31.07.2025):

conda install -c conda-forge smact

MatterGen (🥇18 · ⭐ 1.6K · 📈) - Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table.. MIT generative structure-prediction pretrained

- [GitHub](https://github.com/microsoft/mattergen) (👨‍💻 13 · 🔀 300 · 📋 140 - 5% open · ⏱️ 23.02.2026):

git clone https://github.com/microsoft/mattergen

BOSS (🥈13 · ⭐ 27) - Bayesian Optimization Structure Search (BOSS). Apache-2 probabilistic

- [PyPi](https://pypi.org/project/aalto-boss) (📥 2.6K / month · ⏱️ 28.11.2025):

pip install aalto-boss

- [GitLab](https://gitlab.com/cest-group/boss) (🔀 13 · 📋 37 - 16% open · ⏱️ 28.11.2025):

git clone https://gitlab.com/cest-group/boss

Materials Discovery: GNoME (🥈12 · ⭐ 1.1K · 💤) - Graph Networks for Materials Science (GNoME) and dataset of 381,000 novel stable materials. Apache-2 UIP datasets rep-learn proprietary

- [GitHub](https://github.com/google-deepmind/materials_discovery) (👨‍💻 2 · 🔀 180 · 📋 25 - 84% open · ⏱️ 03.03.2025):

git clone https://github.com/google-deepmind/materials_discovery

aviary (🥈11 · ⭐ 61) - The Wren sits on its Roost in the Aviary. MIT

- [GitHub](https://github.com/CompRhys/aviary) (👨‍💻 6 · 🔀 13 · 📋 34 - 11% open · ⏱️ 06.01.2026):

git clone https://github.com/CompRhys/aviary

AGOX (🥉10 · ⭐ 18) - AGOX is a package for global optimization of atomic system using e.g. the energy calculated from density functional.. GPL-3.0 structure-optimization

- [PyPi](https://pypi.org/project/agox) (📥 440 / month · 📦 3 · ⏱️ 04.02.2026):

pip install agox

- [GitLab](https://gitlab.com/agox/agox) (🔀 8 · 📋 28 - 32% open · ⏱️ 04.02.2026):

git clone https://gitlab.com/agox/agox

Show 7 hidden projects...

- Computational Autonomy for Materials Discovery (CAMD) (🥉7 · ⭐ 1 · 💀) - Agent-based sequential learning software for materials discovery. Apache-2 - MAGUS (🥉5 · ⭐ 100 · 💀) - Machine learning And Graph theory assisted Universal structure Searcher. Unlicensed structure-prediction active-learning - CSPML (crystal structure prediction with machine learning-based element substitution) (🥉5 · ⭐ 29 · 💀) - Original implementation of CSPML. MIT structure-prediction - SPINNER (🥉4 · ⭐ 15 · 💀) - SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random.. GPL-3.0 C++ structure-prediction - ML-atomate (🥉4 · ⭐ 7 · 💀) - Machine learning-assisted Atomate code for autonomous computational materials screening. GPL-3.0 active-learning workflows - closed-loop-acceleration-benchmarks (🥉4 · 💀) - Data and scripts in support of the publication By how much can closed-loop frameworks accelerate computational.. MIT materials-discovery active-learning single-paper - sl_discovery (🥉3 · ⭐ 5 · 💀) - Data processing and models related to Quantifying the performance of machine learning models in materials discovery. Apache-2 materials-discovery single-paper

Mathematical tools

Projects that implement mathematical objects used in atomistic machine learning.

cuEquivariance (🥇24 · ⭐ 370) - cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used.. Apache-2 rep-learn

- [GitHub](https://github.com/NVIDIA/cuEquivariance) (👨‍💻 7 · 🔀 26 · 📋 75 - 21% open · ⏱️ 17.02.2026):

git clone https://github.com/NVIDIA/cuEquivariance

- [PyPi](https://pypi.org/project/cuequivariance) (📥 74K / month · 📦 10 · ⏱️ 17.02.2026):

pip install cuequivariance

- [Conda](https://anaconda.org/conda-forge/cuequivariance) (📥 20K · ⏱️ 18.02.2026):

conda install -c conda-forge cuequivariance

KFAC-JAX (🥇20 · ⭐ 310) - Second Order Optimization and Curvature Estimation with K-FAC in JAX. Apache-2

- [GitHub](https://github.com/google-deepmind/kfac-jax) (👨‍💻 20 · 🔀 29 · 📦 11 · 📋 36 - 69% open · ⏱️ 25.02.2026):

git clone https://github.com/google-deepmind/kfac-jax

- [PyPi](https://pypi.org/project/kfac-jax) (📥 790 / month · 📦 2 · ⏱️ 25.02.2026):

pip install kfac-jax

SpheriCart (🥈19 · ⭐ 94) - Multi-language library for the calculation of spherical harmonics in Cartesian coordinates. MIT

- [GitHub](https://github.com/lab-cosmo/sphericart) (👨‍💻 13 · 🔀 16 · 📥 910 · 📦 10 · 📋 44 - 31% open · ⏱️ 17.02.2026):

git clone https://github.com/lab-cosmo/sphericart

- [PyPi](https://pypi.org/project/sphericart) (📥 3.5K / month · 📦 2 · ⏱️ 17.02.2026):

pip install sphericart

gpax (🥈17 · ⭐ 230 · 💤) - Gaussian Processes for Experimental Sciences. MIT probabilistic active-learning

- [GitHub](https://github.com/ziatdinovmax/gpax) (👨‍💻 6 · 🔀 29 · 📦 6 · 📋 43 - 23% open · ⏱️ 04.07.2025):

git clone https://github.com/ziatdinovmax/gpax

- [PyPi](https://pypi.org/project/gpax) (📥 210 / month · ⏱️ 04.07.2025):

pip install gpax

OpenEquivariance (🥈15 · ⭐ 130) - OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product. BSD-3 rep-learn

- [GitHub](https://github.com/PASSIONLab/OpenEquivariance) (👨‍💻 3 · 🔀 9 · 📦 2 · 📋 35 - 11% open · ⏱️ 24.02.2026):

git clone https://github.com/PASSIONLab/OpenEquivariance

Polynomials4ML.jl (🥈14 · ⭐ 14) - Polynomials for ML: fast evaluation, batching, differentiation. MIT Julia

- [GitHub](https://github.com/ACEsuit/Polynomials4ML.jl) (👨‍💻 12 · 🔀 7 · 📋 61 - 14% open · ⏱️ 29.12.2025):

git clone https://github.com/ACEsuit/Polynomials4ML.jl

GElib (🥉9 · ⭐ 25) - C++/CUDA library for SO(3) equivariant operations. MPL-2.0 C++

- [GitHub](https://github.com/risi-kondor/GElib) (👨‍💻 6 · 🔀 3 · 📋 8 - 50% open · ⏱️ 21.10.2025):

git clone https://github.com/risi-kondor/GElib

cnine (🥉6 · ⭐ 5) - Cnine tensor library. Unlicensed C++

- [GitHub](https://github.com/risi-kondor/cnine) (👨‍💻 8 · 🔀 4 · 📋 2 - 50% open · ⏱️ 27.12.2025):

git clone https://github.com/risi-kondor/cnine

Show 6 hidden projects...

- lie-nn (🥉9 · ⭐ 36 · 💀) - Tools for building equivariant polynomials on reductive Lie groups. MIT rep-learn - LapJAX (🥉8 · ⭐ 75 · 💀) - A JAX based package designed for efficient second order operators (e.g., laplacian) computation. MIT - EquivariantOperators.jl (🥉6 · ⭐ 18 · 💀) - This package is deprecated. Functionalities are migrating to Porcupine.jl. MIT Julia - COSMO Toolbox (🥉6 · ⭐ 8 · 💀) - Assorted libraries and utilities for atomistic simulation analysis. Unlicensed C++ - torch_spex (🥉3 · ⭐ 2 · 💀) - Spherical expansions in PyTorch. Unlicensed - Wigner Kernels (🥉1 · ⭐ 2 · 💀) - Collection of programs to benchmark Wigner kernels. Unlicensed benchmarking

Molecular Dynamics

Projects that simplify the integration of molecular dynamics and atomistic machine learning.

JAX-MD (🥇27 · ⭐ 1.4K) - Differentiable, Hardware Accelerated, Molecular Dynamics. Apache-2

- [GitHub](https://github.com/jax-md/jax-md) (👨‍💻 44 · 🔀 230 · 📦 81 · 📋 200 - 33% open · ⏱️ 23.01.2026):

git clone https://github.com/jax-md/jax-md

- [PyPi](https://pypi.org/project/jax-md) (📥 11K / month · 📦 16 · ⏱️ 07.11.2025):

pip install jax-md

TorchSim (🥇25 · ⭐ 420) - Torch-native, batchable, atomistic simulations. MIT HTC UIP ML-IAP structure-optimization

- [GitHub](https://github.com/TorchSim/torch-sim) (👨‍💻 29 · 🔀 80 · 📋 140 - 24% open · ⏱️ 25.02.2026):

git clone https://github.com/Radical-AI/torch-sim

- [PyPi](https://pypi.org/project/torch-sim-atomistic) (📥 350K / month · 📦 7 · ⏱️ 18.02.2026):

pip install torch-sim-atomistic

GPUMD (🥈23 · ⭐ 730) - GPUMD is a highly efficient general-purpose molecular dynamic (MD) package and enables machine-learned potentials.. GPL-3.0 ML-IAP C++ electrostatics

- [GitHub](https://github.com/brucefan1983/GPUMD) (👨‍💻 56 · 🔀 170 · 📋 260 - 6% open · ⏱️ 25.02.2026):

git clone https://github.com/brucefan1983/GPUMD

mlcolvar (🥈22 · ⭐ 140) - A unified framework for machine learning collective variables for enhanced sampling simulations. MIT sampling

- [GitHub](https://github.com/luigibonati/mlcolvar) (👨‍💻 14 · 🔀 35 · 📦 11 · 📋 100 - 12% open · ⏱️ 19.02.2026):

git clone https://github.com/luigibonati/mlcolvar

- [PyPi](https://pypi.org/project/mlcolvar) (📥 570 / month · 📦 4 · ⏱️ 03.02.2026):

pip install mlcolvar

openmm-torch (🥈17 · ⭐ 220 · 💤) - OpenMM plugin to define forces with neural networks. Custom ML-IAP C++

- [GitHub](https://github.com/openmm/openmm-torch) (👨‍💻 9 · 🔀 29 · 📋 100 - 31% open · ⏱️ 20.02.2025):

git clone https://github.com/openmm/openmm-torch

- [Conda](https://anaconda.org/conda-forge/openmm-torch) (📥 1.1M · ⏱️ 16.12.2025):

conda install -c conda-forge openmm-torch

FitSNAP (🥈17 · ⭐ 180) - Software for generating machine-learning interatomic potentials for LAMMPS. GPL-2.0

- [GitHub](https://github.com/FitSNAP/FitSNAP) (👨‍💻 24 · 🔀 65 · 📥 15 · 📋 84 - 25% open · ⏱️ 17.10.2025):

git clone https://github.com/FitSNAP/FitSNAP

- [Conda](https://anaconda.org/conda-forge/fitsnap3) (📥 16K · ⏱️ 22.04.2025):

conda install -c conda-forge fitsnap3

OpenMM-ML (🥈17 · ⭐ 150 · 📈) - High level API for using machine learning models in OpenMM simulations. MIT ML-IAP

- [GitHub](https://github.com/openmm/openmm-ml) (👨‍💻 7 · 🔀 36 · 📦 2 · 📋 74 - 41% open · ⏱️ 20.02.2026):

git clone https://github.com/openmm/openmm-ml

- [Conda](https://anaconda.org/conda-forge/openmm-ml) (📥 40K · ⏱️ 16.01.2026):

conda install -c conda-forge openmm-ml

DMFF (🥉13 · ⭐ 190) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 C++

- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 17 · 🔀 47 · 📋 33 - 39% open · ⏱️ 06.08.2025):

git clone https://github.com/deepmodeling/DMFF

Psiflow (🥉13 · ⭐ 140) - scalable molecular simulation. MIT ML-IAP active-learning sampling

- [GitHub](https://github.com/molmod/psiflow) (👨‍💻 5 · 🔀 15 · 📋 58 - 20% open · ⏱️ 29.09.2025):

git clone https://github.com/molmod/psiflow

pair_allegro (🥉11 · ⭐ 59) - LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials. MIT ML-IAP rep-learn

- [GitHub](https://github.com/mir-group/pair_nequip_allegro) (👨‍💻 6 · 🔀 10 · 📋 47 - 21% open · ⏱️ 19.09.2025):

git clone https://github.com/mir-group/pair_allegro

pair_nequip (🥉10 · ⭐ 44 · 💤) - LAMMPS pair style for NequIP. MIT ML-IAP rep-learn

- [GitHub](https://github.com/mir-group/pair_nequip) (👨‍💻 3 · 🔀 14 · 📋 33 - 39% open · ⏱️ 25.04.2025):

git clone https://github.com/mir-group/pair_nequip

PACE (🥉10 · ⭐ 31) - The LAMMPS ML-IAP `pair_style pace`, aka Atomic Cluster Expansion (ACE), aka ML-PACE,.. Custom

- [GitHub](https://github.com/ICAMS/lammps-user-pace) (👨‍💻 8 · 🔀 16 · 📋 11 - 45% open · ⏱️ 03.12.2025):

git clone https://github.com/ICAMS/lammps-user-pace

MUSE (🥉5 · ⭐ 7 · 💤) - A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and.. MIT ML-IAP Defects & Disorder

- [GitHub](https://github.com/chiang-yuan/muse) (👨‍💻 2 · 🔀 1 · 📦 1 · ⏱️ 15.05.2025):

git clone https://github.com/chiang-yuan/muse

Show 2 hidden projects...

- SOMD (🥉4 · ⭐ 17) - Molecular dynamics package designed for the SIESTA DFT code. AGPL-3.0 ML-IAP active-learning - interface-lammps-mlip-3 (🥉3 · ⭐ 4 · 💀) - An interface between LAMMPS and MLIP (version 3). GPL-2.0

Probabilistic ML

Projects that focus on probabilistic, Bayesian, Gaussian process and adversarial methods for atomistic ML, for optimization, uncertainty quantification (UQ), etc.

thermo (🥇5 · ⭐ 17) - Data-driven risk-conscious thermoelectric materials discovery. MIT materials-discovery experimental-data active-learning transport-phenomena

- [GitHub](https://github.com/janosh/thermo) (👨‍💻 2 · 🔀 4 · ⏱️ 12.11.2025):

git clone https://github.com/janosh/thermo

Reinforcement Learning

Projects that focus on reinforcement learning for atomistic ML.

Show 2 hidden projects...

- ReLeaSE (🥇11 · ⭐ 370 · 💀) - Deep Reinforcement Learning for de-novo Drug Design. MIT drug-discovery - CatGym (🥉6 · ⭐ 13 · 💀) - Surface segregation using Deep Reinforcement Learning. GPL

Representation Engineering

Projects that offer implementations of representations aka descriptors, fingerprints of atomistic systems, and models built with them, aka feature engineering.

DScribe (🥇26 · ⭐ 460) - DScribe is a python package for creating machine learning descriptors for atomistic systems. Apache-2

- [GitHub](https://github.com/SINGROUP/dscribe) (👨‍💻 18 · 🔀 96 · 📦 280 · 📋 110 - 12% open · ⏱️ 27.09.2025):

git clone https://github.com/SINGROUP/dscribe

- [PyPi](https://pypi.org/project/dscribe) (📥 390K / month · 📦 63 · ⏱️ 27.09.2025):

pip install dscribe

- [Conda](https://anaconda.org/conda-forge/dscribe) (📥 270K · ⏱️ 10.12.2025):

conda install -c conda-forge dscribe

cdk (🥇25 · ⭐ 570) - The Chemistry Development Kit. LGPL-2.1 cheminformatics Java

- [GitHub](https://github.com/cdk/cdk) (👨‍💻 170 · 🔀 170 · 📥 44K · 📋 330 - 9% open · ⏱️ 27.01.2026):

git clone https://github.com/cdk/cdk

- [Maven](https://search.maven.org/artifact/org.openscience.cdk/cdk-bundle) (📦 18 · ⏱️ 29.03.2025):

<dependency>
    <groupId>org.openscience.cdk</groupId>
    <artifactId>cdk-bundle</artifactId>
    <version>[VERSION]</version>
</dependency>

ChemML (🥇19 · ⭐ 170) - ChemML is a machine learning and informatics program suite for the chemical and materials sciences. BSD-3 cheminformatics active-learning workflows

- [GitHub](https://github.com/hachmannlab/chemml) (👨‍💻 16 · 🔀 33 · 📥 14 · 📦 8 · 📋 13 - 53% open · ⏱️ 06.12.2025):

git clone https://github.com/hachmannlab/chemml

- [PyPi](https://pypi.org/project/chemml) (📥 250 / month · 📦 2 · ⏱️ 08.10.2023):

pip install chemml

pySIPFENN (🥇16 · ⭐ 24) - Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique.. LGPL-3.0 material-defect Defects & Disorder pretrained transfer-learning

- [GitHub](https://github.com/PhasesResearchLab/pySIPFENN) (👨‍💻 5 · 🔀 5 · 📥 120 · 📦 7 · 📋 8 - 62% open · ⏱️ 20.01.2026):

git clone https://github.com/PhasesResearchLab/pySIPFENN

- [PyPi](https://pypi.org/project/pysipfenn) (📥 160 / month · ⏱️ 20.01.2026):

pip install pysipfenn

- [Conda](https://anaconda.org/conda-forge/pysipfenn) (📥 21K · ⏱️ 20.01.2026):

conda install -c conda-forge pysipfenn

MODNet (🥈15 · ⭐ 100 · 💤) - MODNet: a framework for machine learning materials properties. MIT pretrained small-data transfer-learning

- [GitHub](https://github.com/ppdebreuck/modnet) (👨‍💻 11 · 🔀 34 · 📦 11 · 📋 64 - 50% open · ⏱️ 02.05.2025):

git clone https://github.com/ppdebreuck/modnet

Featomic (🥈14 · ⭐ 78) - Computing representations for atomistic machine learning. BSD-3 Rust C++

- [GitHub](https://github.com/metatensor/featomic) (👨‍💻 18 · 🔀 18 · 📥 830 · 📋 86 - 47% open · ⏱️ 04.02.2026):

git clone https://github.com/metatensor/featomic

GlassPy (🥈13 · ⭐ 36 · 💤) - Python module for scientists working with glass materials. GPL-3.0

- [GitHub](https://github.com/drcassar/glasspy) (👨‍💻 2 · 🔀 8 · 📦 7 · 📋 15 - 46% open · ⏱️ 21.07.2025):

git clone https://github.com/drcassar/glasspy

- [PyPi](https://pypi.org/project/glasspy) (📥 440 / month · ⏱️ 05.09.2024):

pip install glasspy

SISSO (🥈12 · ⭐ 350) - A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models. Apache-2 Fortran

- [GitHub](https://github.com/rouyang2017/SISSO) (👨‍💻 3 · 🔀 93 · 📋 78 - 23% open · ⏱️ 26.01.2026):

git clone https://github.com/rouyang2017/SISSO

PDynA (🥈12 · ⭐ 49) - Python package to analyse the structural dynamics of perovskites. MIT MD

- [GitHub](https://github.com/WMD-group/PDynA) (👨‍💻 4 · 🔀 5 · 📦 2 · ⏱️ 14.01.2026):

git clone https://github.com/WMD-group/PDynA

- [PyPi](https://pypi.org/project/pdyna) (📥 28 / month · ⏱️ 23.09.2024):

pip install pdyna

BenchML (🥉11 · ⭐ 15) - ML benchmarking and pipeling framework. Apache-2 benchmarking

- [GitHub](https://github.com/capoe/benchml) (👨‍💻 9 · 🔀 6 · 📋 13 - 23% open · ⏱️ 28.10.2025):

git clone https://github.com/capoe/benchml

- [PyPi](https://pypi.org/project/benchml) (📥 74 / month · ⏱️ 14.07.2022):

pip install benchml

ElemNet (🥉8 · ⭐ 100) - Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction. Unlicensed single-paper

- [GitHub](https://github.com/NU-CUCIS/ElemNet) (👨‍💻 4 · 🔀 35 · 📋 8 - 50% open · ⏱️ 13.01.2026):

git clone https://github.com/NU-CUCIS/ElemNet

MOLPIPx (🥉8 · ⭐ 49) - Differentiable version of Permutationally Invariant Polynomial (PIP) models in JAX and Rust. Apache-2 Python Rust

- [GitHub](https://github.com/ChemAI-Lab/molpipx) (👨‍💻 11 · 🔀 1 · ⏱️ 22.01.2026):

git clone https://github.com/ChemAI-Lab/molpipx

soap_turbo (🥉7 · ⭐ 9) - soap_turbo comprises a series of libraries to be used in combination with QUIP/GAP and TurboGAP. Custom Fortran

- [GitHub](https://github.com/libAtoms/soap_turbo) (👨‍💻 4 · 🔀 8 · 📋 8 - 62% open · ⏱️ 22.01.2026):

git clone https://github.com/libAtoms/soap_turbo

SA-GPR (🥉6 · ⭐ 22 · 💤) - Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR). LGPL-3.0 C-lang

- [GitHub](https://github.com/dilkins/TENSOAP) (👨‍💻 6 · 🔀 16 · 📥 16 · 📋 9 - 44% open · ⏱️ 03.02.2025):

git clone https://github.com/dilkins/TENSOAP

fplib (🥉6 · ⭐ 8) - libfp is a library for calculating crystalline fingerprints and measuring similarities of materials. MIT C-lang single-paper

- [GitHub](https://github.com/Rutgers-ZRG/libfp) (👨‍💻 2 · 🔀 1 · 📦 2 · ⏱️ 22.09.2025):

git clone https://github.com/zhuligs/fplib

Show 16 hidden projects...

- CatLearn (🥇16 · ⭐ 120 · 💀) - GPL-3.0 surface-science - ElementEmbeddings (🥇16 · ⭐ 50 · 💀) - Python package to interact with high-dimensional representations of the chemical elements. MIT XAI USL viz - Librascal (🥈13 · ⭐ 83 · 💀) - A scalable and versatile library to generate representations for atomic-scale learning. LGPL-2.1 - CBFV (🥈12 · ⭐ 29 · 💀) - Tool to quickly create a composition-based feature vector. Unlicensed - cmlkit (🥉10 · ⭐ 33 · 💀) - tools for machine learning in condensed matter physics and quantum chemistry. MIT benchmarking - SkipAtom (🥉9 · ⭐ 28 · 💀) - Distributed representations of atoms, inspired by the Skip-gram model. MIT - NICE (🥉7 · ⭐ 12 · 💀) - NICE (N-body Iteratively Contracted Equivariants) is a set of tools designed for the calculation of invariant and.. MIT - SISSO++ (🥉7 · ⭐ 5 · 💀) - C++ Implementation of SISSO with python bindings. Apache-2 C++ - milad (🥉6 · ⭐ 34 · 💀) - Moment Invariants Local Atomic Descriptor. GPL-3.0 generative - SOAPxx (🥉6 · ⭐ 7 · 💀) - A SOAP implementation. GPL-2.0 C++ - pyLODE (🥉6 · ⭐ 3 · 💀) - Pythonic implementation of LOng Distance Equivariants. Apache-2 electrostatics - AMP (🥉6 · 💀) - Amp is an open-source package designed to easily bring machine-learning to atomistic calculations. Unlicensed - MXenes4HER (🥉5 · ⭐ 6 · 💀) - Predicting hydrogen evolution (HER) activity over 4500 MXene materials https://doi.org/10.1039/D3TA00344B. GPL-3.0 materials-discovery catalysis scikit-learn single-paper - automl-materials (🥉4 · ⭐ 5 · 💀) - AutoML for Regression Tasks on Small Tabular Data in Materials Design. MIT autoML benchmarking single-paper - magnetism-prediction (🥉4 · ⭐ 2 · 💤) - DFT-aided Machine Learning Search for Magnetism in Fe-based Bimetallic Chalcogenides. Apache-2 magnetism single-paper - ML-for-CurieTemp-Predictions (🥉3 · ⭐ 2 · 💀) - Machine Learning Predictions of High-Curie-Temperature Materials. MIT single-paper magnetism

Representation Learning

General models that learn a representations aka embeddings of atomistic systems, such as message-passing neural networks (MPNN).

Deep Graph Library (DGL) (🥇36 · ⭐ 14K · 💤) - Python package built to ease deep learning on graph, on top of existing DL frameworks. Apache-2

- [GitHub](https://github.com/dmlc/dgl) (👨‍💻 300 · 🔀 3K · 📦 4.2K · 📋 3K - 20% open · ⏱️ 31.07.2025):

git clone https://github.com/dmlc/dgl

- [PyPi](https://pypi.org/project/dgl) (📥 110K / month · 📦 150 · ⏱️ 13.05.2024):

pip install dgl

- [Conda](https://anaconda.org/dglteam/dgl) (📥 470K · ⏱️ 25.03.2025):

conda install -c dglteam dgl

PyG Models (🥇34 · ⭐ 24K) - Representation learning models implemented in PyTorch Geometric. MIT general-ml

- [GitHub](https://github.com/pyg-team/pytorch_geometric) (👨‍💻 560 · 🔀 4K · 📦 11K · 📋 4K - 31% open · ⏱️ 19.02.2026):

git clone https://github.com/pyg-team/pytorch_geometric

e3nn (🥇30 · ⭐ 1.2K) - A modular framework for neural networks with Euclidean symmetry. MIT

- [GitHub](https://github.com/e3nn/e3nn) (👨‍💻 38 · 🔀 180 · 📦 580 · 📋 180 - 17% open · ⏱️ 13.02.2026):

git clone https://github.com/e3nn/e3nn

- [PyPi](https://pypi.org/project/e3nn) (📥 610K / month · 📦 74 · ⏱️ 13.02.2026):

pip install e3nn

- [Conda](https://anaconda.org/conda-forge/e3nn) (📥 62K · ⏱️ 14.02.2026):

conda install -c conda-forge e3nn

SchNetPack (🥇28 · ⭐ 910) - SchNetPack - Deep Neural Networks for Atomistic Systems. MIT

- [GitHub](https://github.com/atomistic-machine-learning/schnetpack) (👨‍💻 43 · 🔀 250 · 📦 110 · 📋 280 - 1% open · ⏱️ 20.01.2026):

git clone https://github.com/atomistic-machine-learning/schnetpack

- [PyPi](https://pypi.org/project/schnetpack) (📥 5.8K / month · 📦 4 · ⏱️ 19.12.2025):

pip install schnetpack

MatGL (Materials Graph Library) (🥇27 · ⭐ 510) - Graph deep learning library for materials. BSD-3 ML-IAP pretrained multifidelity

- [GitHub](https://github.com/materialyzeai/matgl) (👨‍💻 25 · 🔀 100 · 📦 90 · 📋 150 - 2% open · ⏱️ 25.02.2026):

git clone https://github.com/materialsvirtuallab/matgl

- [PyPi](https://pypi.org/project/matgl) (📥 25K / month · 📦 30 · ⏱️ 14.12.2025):

pip install matgl

- [Docker Hub](https://hub.docker.com/r/materialsvirtuallab/matgl) (📥 180 · ⭐ 1 · ⏱️ 08.04.2025):

docker pull materialsvirtuallab/matgl

ALIGNN (🥈18 · ⭐ 300) - Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ.. Custom

- [GitHub](https://github.com/usnistgov/alignn) (👨‍💻 8 · 🔀 110 · 📦 24 · 📋 85 - 67% open · ⏱️ 25.08.2025):

git clone https://github.com/usnistgov/alignn

- [PyPi](https://pypi.org/project/alignn) (📥 7K / month · 📦 11 · ⏱️ 02.04.2025):

pip install alignn

Uni-Mol (🥈17 · ⭐ 1.1K · 💤) - Official Repository for the Uni-Mol Series Methods. MIT pretrained

- [GitHub](https://github.com/deepmodeling/Uni-Mol) (👨‍💻 20 · 🔀 160 · 📥 21K · 📋 230 - 48% open · ⏱️ 29.05.2025):

git clone https://github.com/deepmodeling/Uni-Mol

HydraGNN (🥈16 · ⭐ 100) - Distributed PyTorch implementation of multi-headed graph convolutional neural networks. BSD-3

- [GitHub](https://github.com/ORNL/HydraGNN) (👨‍💻 18 · 🔀 38 · 📦 3 · 📋 56 - 30% open · ⏱️ 25.02.2026):

git clone https://github.com/ORNL/HydraGNN

Compositionally-Restricted Attention-Based Network (CrabNet) (🥈14 · ⭐ 17 · 💤) - Predict materials properties using only the composition information!. MIT

- [GitHub](https://github.com/sparks-baird/CrabNet) (👨‍💻 6 · 🔀 6 · 📦 16 · 📋 19 - 84% open · ⏱️ 04.06.2025):

git clone https://github.com/sparks-baird/CrabNet

- [PyPi](https://pypi.org/project/crabnet) (📥 1.3K / month · 📦 2 · ⏱️ 10.01.2023):

pip install crabnet

hippynn (🥈13 · ⭐ 93) - python library for atomistic machine learning. Custom workflows

- [GitHub](https://github.com/lanl/hippynn) (👨‍💻 20 · 🔀 34 · 📦 4 · 📋 41 - 34% open · ⏱️ 18.02.2026):

git clone https://github.com/lanl/hippynn

Equiformer (🥉8 · ⭐ 270 · 💤) - [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs. MIT transformer

- [GitHub](https://github.com/atomicarchitects/equiformer) (👨‍💻 2 · 🔀 51 · 📋 21 - 52% open · ⏱️ 11.02.2025):

git clone https://github.com/atomicarchitects/equiformer

UVVisML (🥉8 · ⭐ 35 · 💤) - Predict optical properties of molecules with machine learning. MIT optical-properties single-paper probabilistic

- [GitHub](https://github.com/learningmatter-mit/uvvisml) (👨‍💻 1 · 🔀 9 · 📋 2 - 50% open · ⏱️ 30.07.2025):

git clone https://github.com/learningmatter-mit/uvvisml

DeeperGATGNN (🥉7 · ⭐ 63) - Scalable graph neural networks for materials property prediction. MIT

- [GitHub](https://github.com/usccolumbia/deeperGATGNN) (👨‍💻 3 · 🔀 8 · ⏱️ 02.02.2026):

git clone https://github.com/usccolumbia/deeperGATGNN

AdsorbML (🥉7 · ⭐ 43 · 💤) - MIT surface-science single-paper

- [GitHub](https://github.com/Open-Catalyst-Project/AdsorbML) (👨‍💻 7 · 🔀 6 · 📋 4 - 75% open · ⏱️ 05.02.2025):

git clone https://github.com/Open-Catalyst-Project/AdsorbML

Crystalframer (🥉7 · ⭐ 13) - The official code respository for Rethinking the role of frames for SE(3)-invariant crystal structure modeling (ICLR.. MIT transformer single-paper

- [GitHub](https://github.com/omron-sinicx/crystalframer) (👨‍💻 3 · 🔀 2 · 📥 11 · ⏱️ 16.10.2025):

git clone https://github.com/omron-sinicx/crystalframer

Crystalformer (🥉6 · ⭐ 27 · 💤) - The official code respository for Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding (ICLR.. MIT transformer single-paper

- [GitHub](https://github.com/omron-sinicx/crystalformer) (🔀 1 · 📋 4 - 25% open · ⏱️ 08.03.2025):

git clone https://github.com/omron-sinicx/crystalformer

Show 47 hidden projects...

- dgl-lifesci (🥇24 · ⭐ 790 · 💀) - Python package for graph neural networks in chemistry and biology. Apache-2 - e3nn-jax (🥇21 · ⭐ 220 · 💀) - jax library for E3 Equivariant Neural Networks. Apache-2 - NVIDIA Deep Learning Examples for Tensor Cores (🥈20 · ⭐ 15K · 💀) - State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and.. Custom educational drug-discovery - DIG: Dive into Graphs (🥈20 · ⭐ 2K · 💀) - A library for graph deep learning research. GPL-3.0 - escnn (🥈17 · ⭐ 500 · 💀) - Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/. Custom - kgcnn (🥈17 · ⭐ 120 · 💀) - Graph convolutions in Keras with TensorFlow, PyTorch or Jax. MIT - Graphormer (🥈15 · ⭐ 2.4K · 💀) - Graphormer is a general-purpose deep learning backbone for molecular modeling. MIT transformer pretrained - benchmarking-gnns (🥈14 · ⭐ 2.6K · 💀) - Repository for benchmarking graph neural networks (JMLR 2023). MIT single-paper benchmarking - xtal2png (🥈14 · ⭐ 39 · 💀) - Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning.. MIT computer-vision - Crystal Graph Convolutional Neural Networks (CGCNN) (🥈13 · ⭐ 820 · 💀) - Crystal graph convolutional neural networks for predicting material properties. MIT - Neural fingerprint (nfp) (🥈12 · ⭐ 62 · 💀) - Keras layers for end-to-end learning with rdkit and pymatgen. Custom - FAENet (🥈12 · ⭐ 34 · 💀) - Frame Averaging Equivariant GNN for materials modeling. MIT - pretrained-gnns (🥈10 · ⭐ 1.1K · 💀) - Strategies for Pre-training Graph Neural Networks. MIT pretrained - GDC (🥈10 · ⭐ 270 · 💀) - Graph Diffusion Convolution, as proposed in Diffusion Improves Graph Learning (NeurIPS 2019). MIT generative - Atom2Vec (🥈10 · ⭐ 37 · 💀) - Atom2Vec: a simple way to describe atoms for machine learning. MIT - SE(3)-Transformers (🥈9 · ⭐ 570 · 💀) - code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503. MIT single-paper transformer - GATGNN: Global Attention Graph Neural Network (🥈9 · ⭐ 84 · 💀) - Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials.. MIT - ai4material_design (🥈9 · ⭐ 8 · 💀) - Code for Kazeev, N., Al-Maeeni, A.R., Romanov, I. et al. Sparse representation for machine learning the properties of.. Apache-2 pretrained material-defect - molecularGNN_smiles (🥉8 · ⭐ 340 · 💀) - The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius.. Apache-2 - graphite (🥉8 · ⭐ 110 · 💀) - A repository for implementing graph network models based on atomic structures. MIT - GNNOpt (🥉8 · ⭐ 33 · 💀) - Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures. MIT optical-properties single-paper - T-e3nn (🥉8 · ⭐ 17 · 💀) - Time-reversal Euclidean neural networks based on e3nn. MIT magnetism - tensorfieldnetworks (🥉7 · ⭐ 160 · 💀) - Rotation- and translation-equivariant neural networks for 3D point clouds. MIT - DTNN (🥉7 · ⭐ 78 · 💀) - Deep Tensor Neural Network. MIT - Graph-Aware-Transformers (🥉7 · ⭐ 68 · 💀) - Graph-Aware Attention for Adaptive Dynamics in Transformers. Apache-2 transformer graph-data pretrained single-paper - Cormorant (🥉7 · ⭐ 60 · 💀) - Codebase for Cormorant Neural Networks. Custom - escnn_jax (🥉7 · ⭐ 32 · 💀) - Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/. Custom - CGAT (🥉7 · ⭐ 31 · 💀) - Crystal graph attention neural networks for materials prediction. MIT - Geom3D (🥉6 · ⭐ 130 · 💀) - Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023. MIT benchmarking single-paper - matsciml (🥉6 · ⭐ 130 · 💀) - Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery.. MIT workflows benchmarking - MACE-Layer (🥉6 · ⭐ 46 · 💀) - Higher order equivariant graph neural networks for 3D point clouds. MIT - charge_transfer_nnp (🥉6 · ⭐ 37 · 💀) - Graph neural network potential with charge transfer. MIT electrostatics - GLAMOUR (🥉6 · ⭐ 24 · 💀) - Graph Learning over Macromolecule Representations. MIT single-paper - FieldSchNet (🥉6 · ⭐ 23 · 💀) - Deep neural network for molecules in external fields. MIT - ML4pXRDs (🥉6 · ⭐ 3 · 💀) - Contains code to train neural networks based on simulated powder XRDs from synthetic crystals. MIT XRD single-paper - Autobahn (🥉5 · ⭐ 30 · 💀) - Repository for Autobahn: Automorphism Based Graph Neural Networks. MIT - CraTENet (🥉5 · ⭐ 17 · 💀) - An attention-based deep neural network for thermoelectric transport properties. MIT transport-phenomena - SCFNN (🥉5 · ⭐ 15 · 💀) - Self-consistent determination of long-range electrostatics in neural network potentials. MIT C++ electrostatics single-paper - gkx: Green-Kubo Method in JAX (🥉5 · ⭐ 8 · 💀) - Green-Kubo + JAX + MLPs = Anharmonic Thermal Conductivities Done Fast. MIT transport-phenomena - Per-site PAiNN (🥉5 · ⭐ 2 · 💀) - Fork of PaiNN for PerovskiteOrderingGCNNs. MIT probabilistic pretrained single-paper - Per-Site CGCNN (🥉5 · ⭐ 1 · 💀) - Crystal graph convolutional neural networks for predicting material properties. MIT pretrained single-paper - Graph Transport Network (🥉4 · ⭐ 15 · 💀) - Graph transport network (GTN), as proposed in Scalable Optimal Transport in High Dimensions for Graph Distances,.. Custom transport-phenomena - EGraFFBench (🥉4 · ⭐ 11 · 💀) - Unlicensed single-paper benchmarking ML-IAP - atom_by_atom (🥉3 · ⭐ 10 · 💀) - Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning. Unlicensed surface-science single-paper - Element encoder (🥉3 · ⭐ 6 · 💀) - Autoencoder neural network to compress properties of atomic species into a vector representation. GPL-3.0 single-paper - Point Edge Transformer (🥉2) - Smooth, exact rotational symmetrization for deep learning on point clouds. CC-BY-4.0 - SphericalNet (🥉1 · ⭐ 3 · 💀) - Implementation of Clebsch-Gordan Networks (CGnet: https://arxiv.org/pdf/1806.09231.pdf) by GElib & cnine libraries in.. Unlicensed

Universal Potentials

Machine-learned interatomic potentials (ML-IAP) that have been trained on large, chemically and structural diverse datasets. For materials, this means e.g. datasets that include a majority of the periodic table.

🔗 TeaNet - Universal neural network interatomic potential inspired by iterative electronic relaxations.. ML-IAP

🔗 PreFerred Potential (PFP) - Universal neural network potential for material discovery https://doi.org/10.1038/s41467-022-30687-9. ML-IAP proprietary

FAIRChem EquiformerV2 models (🥇31 · ⭐ 2K) - FAIRChem implementation of Equiformer V2 (eqV2) models. MIT pretrained UIP rep-learn catalysis

- [GitHub](https://github.com/facebookresearch/fairchem) (👨‍💻 66 · 🔀 440 · 📋 540 - 2% open · ⏱️ 26.02.2026):

git clone https://github.com/FAIR-Chem/fairchem

- [PyPi](https://pypi.org/project/fairchem-core) (📥 190K / month · 📦 37 · ⏱️ 26.02.2026):

pip install fairchem-core

FAIRChem eSEN models (🥇31 · ⭐ 2K) - FAIRChem implementation of Smooth Energy Network (eSEN) models arXiv:2502.12147. MIT pretrained UIP rep-learn catalysis

- [GitHub](https://github.com/facebookresearch/fairchem) (👨‍💻 66 · 🔀 440 · 📋 540 - 2% open · ⏱️ 26.02.2026):

git clone https://github.com/FAIR-Chem/fairchem

- [PyPi](https://pypi.org/project/fairchem-core) (📥 190K / month · 📦 37 · ⏱️ 26.02.2026):

pip install fairchem-core

DPA-2 (🥈30 · ⭐ 1.9K) - A large atomic model as a multi-task learner https://arxiv.org/abs/2312.15492. LGPL-3.0 ML-IAP pretrained workflows datasets

- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 580 · 📥 68K · 📦 46 · 📋 1K - 11% open · ⏱️ 26.02.2026):

git clone https://github.com/deepmodeling/deepmd-kit

- [PyPi](https://pypi.org/project/deepmd-kit) (📥 11K / month · 📦 17 · ⏱️ 12.12.2025):

pip install deepmd-kit

- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.6M · ⏱️ 22.12.2025):

conda install -c conda-forge deepmd-kit

- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 5K · ⭐ 1 · ⏱️ 27.12.2025):

docker pull deepmodeling/deepmd-kit

DeePMD-DPA3 (🥈30 · ⭐ 1.9K) - Successor of DPA-2. LGPL-3.0 ML-IAP pretrained workflows datasets

- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 580 · 📥 68K · 📦 46 · 📋 1K - 11% open · ⏱️ 26.02.2026):

git clone https://github.com/deepmodeling/deepmd-kit

- [PyPi](https://pypi.org/project/deepmd-kit) (📥 11K / month · 📦 17 · ⏱️ 12.12.2025):

pip install deepmd-kit

- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.6M · ⏱️ 22.12.2025):

conda install -c conda-forge deepmd-kit

- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 5K · ⭐ 1 · ⏱️ 27.12.2025):

docker pull deepmodeling/deepmd-kit

SevenNet (🥈25 · ⭐ 230) - SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular.. GPL-3.0 ML-IAP MD pretrained

- [GitHub](https://github.com/MDIL-SNU/SevenNet) (👨‍💻 20 · 🔀 49 · 📥 11K · 📋 89 - 21% open · ⏱️ 25.02.2026):

git clone https://github.com/MDIL-SNU/SevenNet

- [PyPi](https://pypi.org/project/sevenn) (📥 360K / month · 📦 22 · ⏱️ 14.12.2025):

pip install sevenn

MACE-FOUNDATION models (🥈23 · ⭐ 1.1K) - MACE foundation models (MP, OMAT, mh-1). MIT ML-IAP pretrained rep-learn MD

- [GitHub](https://github.com/ACEsuit/mace-foundations) (👨‍💻 3 · 🔀 380 · 📥 320K · 📋 32 - 9% open · ⏱️ 19.11.2025):

git clone https://github.com/ACEsuit/mace-foundations

- [PyPi](https://pypi.org/project/mace-torch) (📥 68K / month · 📦 74 · ⏱️ 22.02.2026):

pip install mace-torch

MatterSim (🥈21 · ⭐ 510 · 📈) - MatterSim: A deep learning atomistic model across elements, temperatures and pressures. MIT ML-IAP active-learning multimodal phase-transition pretrained

- [GitHub](https://github.com/microsoft/mattersim) (👨‍💻 18 · 🔀 73 · 📥 36 · 📋 45 - 53% open · ⏱️ 25.02.2026):

git clone https://github.com/microsoft/mattersim

- [PyPi](https://pypi.org/project/mattersim) (📥 380K / month · 📦 21 · ⏱️ 25.02.2026):

pip install mattersim

CHGNet (🥈21 · ⭐ 360) - Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov. Custom ML-IAP MD pretrained electrostatics magnetism structure-relaxation

- [GitHub](https://github.com/CederGroupHub/chgnet) (👨‍💻 13 · 🔀 95 · 📦 67 · 📋 77 - 5% open · ⏱️ 19.02.2026):

git clone https://github.com/CederGroupHub/chgnet

- [PyPi](https://pypi.org/project/chgnet) (📥 26K / month · 📦 33 · ⏱️ 22.09.2025):

pip install chgnet

Orb Models (🥉20 · ⭐ 540) - ORB forcefield models from Orbital Materials. Custom ML-IAP pretrained

- [GitHub](https://github.com/orbital-materials/orb-models) (👨‍💻 14 · 🔀 71 · 📦 30 · 📋 75 - 12% open · ⏱️ 17.02.2026):

git clone https://github.com/orbital-materials/orb-models

- [PyPi](https://pypi.org/project/orb-models) (📥 9.8K / month · 📦 20 · ⏱️ 21.08.2025):

pip install orb-models

M3GNet (🥉18 · ⭐ 310 · 💤) - Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art.. BSD-3 ML-IAP pretrained

- [GitHub](https://github.com/materialyzeai/m3gnet) (👨‍💻 16 · 🔀 74 · 📋 35 - 42% open · ⏱️ 07.04.2025):

git clone https://github.com/materialsvirtuallab/m3gnet

- [PyPi](https://pypi.org/project/m3gnet) (📥 1.6K / month · 📦 17 · ⏱️ 17.11.2022):

pip install m3gnet

PET-MAD (🥉18 · ⭐ 150 · 📉) - Universal interatomic potentials for advanced materials modeling. BSD-3 ML-IAP MD rep-learn transformer

- [GitHub](https://github.com/lab-cosmo/upet) (👨‍💻 12 · 🔀 13 · 📥 28 · 📋 13 - 23% open · ⏱️ 15.02.2026):

git clone https://github.com/lab-cosmo/pet-mad

- [PyPi](https://pypi.org/project/pet-mad) (📥 4.3K / month · 📦 9 · ⏱️ 12.12.2025):

pip install pet-mad

- [Conda](https://anaconda.org/conda-forge/pet-mad):

conda install -c conda-forge pet-mad

MLIP Arena Leaderboard (🥉13 · ⭐ 90) - [NeurIPS 25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic.. Apache-2 ML-IAP benchmarking

- [GitHub](https://github.com/atomind-ai/mlip-arena) (👨‍💻 3 · 🔀 8 · 📦 2 · 📋 20 - 70% open · ⏱️ 16.10.2025):

git clone https://github.com/atomind-ai/mlip-arena

GRACE (🥉12 · ⭐ 84) - GRACE models and gracemaker (as implemented in TensorPotential package). Custom ML-IAP pretrained MD rep-learn rep-eng

- [GitHub](https://github.com/ICAMS/grace-tensorpotential) (👨‍💻 4 · 🔀 9 · 📦 10 · 📋 17 - 64% open · ⏱️ 17.12.2025):

git clone https://github.com/ICAMS/grace-tensorpotential

EScAIP (🥉7 · ⭐ 59) - [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential. MIT ML-IAP rep-learn transformer single-paper

- [GitHub](https://github.com/ASK-Berkeley/EScAIP) (👨‍💻 2 · 🔀 6 · 📥 15 · 📋 9 - 22% open · ⏱️ 26.09.2025):

git clone https://github.com/ASK-Berkeley/EScAIP

CHIPS-FF (🥉6 · ⭐ 8 · 💤) - Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093. Custom benchmarking structure-optimization MD materials-discovery transport-phenomena

- [GitHub](https://github.com/usnistgov/chipsff) (👨‍💻 3 · 📋 2 - 50% open · ⏱️ 06.02.2025):

git clone https://github.com/usnistgov/chipsff

Show 2 hidden projects...

- ffonons (🥉6 · ⭐ 23 · 💀) - Phonons from ML force fields. MIT benchmarking density-of-states - Joint Multidomain Pre-Training (JMP) (🥉5 · ⭐ 62 · 💀) - Code for From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction. CC-BY-NC-4.0 pretrained ML-IAP general-tool

Unsupervised Learning

Projects that focus on unsupervised, semi- or self-supervised learning for atomistic ML, such as dimensionality reduction, clustering, contrastive learning, etc.

DADApy (🥇17 · ⭐ 140) - Distance-based Analysis of DAta-manifolds in python. Apache-2

- [GitHub](https://github.com/sissa-data-science/DADApy) (👨‍💻 21 · 🔀 23 · 📋 42 - 28% open · ⏱️ 12.02.2026):

git clone https://github.com/sissa-data-science/DADApy

- [PyPi](https://pypi.org/project/dadapy) (📥 770 / month · ⏱️ 11.04.2025):

pip install dadapy

Show 9 hidden projects...

- mat_discover (🥈13 · ⭐ 45 · 💀) - A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces. MIT materials-discovery rep-eng HTC - ASAP (🥈12 · ⭐ 150 · 💀) - ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures. MIT - pumml (🥈10 · ⭐ 37 · 💀) - Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised machine learning to.. MIT materials-discovery - Sketchmap (🥉8 · ⭐ 48 · 💀) - Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular. GPL-3.0 C++ - paper-ml-robustness-material-property (🥉5 · ⭐ 4 · 💀) - A critical examination of robustness and generalizability of machine learning prediction of materials properties. BSD-3 datasets single-paper - 3D-EMGP (🥉4 · ⭐ 33 · 💀) - [AAAI 2023] The implementation for the paper Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs. MIT pretrained rep-learn single-paper - Coarse-Graining-Auto-encoders (🥉4 · ⭐ 21 · 💀) - Implementation of coarse-graining Autoencoders. Unlicensed single-paper - KmdPlus (🥉4 · ⭐ 8 · 💀) - This module contains a class for treating kernel mean descriptor (KMD), and a function for generating descriptors with.. MIT - Descriptor Embedding and Clustering for Atomisitic-environment Framework (DECAF) ( ⭐ 2) - Provides a workflow to obtain clustering of local environments in dataset of structures. Unlicensed

Visualization

Projects that focus on visualization (viz.) for atomistic ML.

Crystal Toolkit (🥇25 · ⭐ 190) - Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials.. MIT

- [GitHub](https://github.com/materialsproject/crystaltoolkit) (👨‍💻 37 · 🔀 66 · 📦 43 · 📋 150 - 45% open · ⏱️ 25.02.2026):

git clone https://github.com/materialsproject/crystaltoolkit

- [PyPi](https://pypi.org/project/crystal-toolkit) (📥 5.3K / month · 📦 12 · ⏱️ 13.02.2026):

pip install crystal-toolkit

pymatviz (🥈23 · ⭐ 300) - A toolkit for visualizations in materials informatics. MIT general-tool probabilistic

- [GitHub](https://github.com/janosh/pymatviz) (👨‍💻 14 · 🔀 38 · 📥 730 · 📦 31 · 📋 65 - 1% open · ⏱️ 25.02.2026):

git clone https://github.com/janosh/pymatviz

- [PyPi](https://pypi.org/project/pymatviz) (📥 8.2K / month · 📦 10 · ⏱️ 11.02.2026):

pip install pymatviz

Chemiscope (🥈22 · ⭐ 170) - An interactive structure/property explorer for materials and molecules. BSD-3 JavaScript

- [GitHub](https://github.com/lab-cosmo/chemiscope) (👨‍💻 27 · 🔀 43 · 📥 640 · 📦 6 · 📋 170 - 9% open · ⏱️ 23.02.2026):

git clone https://github.com/lab-cosmo/chemiscope

- [npm](https://www.npmjs.com/package/chemiscope) (📥 60 / month · 📦 3 · ⏱️ 15.03.2023):

npm install chemiscope

Elementari (🥉21 · ⭐ 300) - Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls,.. MIT JavaScript

- [GitHub](https://github.com/janosh/matterviz) (👨‍💻 6 · 🔀 29 · 📥 2.6K · 📦 3 · 📋 43 - 6% open · ⏱️ 25.02.2026):

git clone https://github.com/janosh/elementari

- [npm](https://www.npmjs.com/package/elementari) (📦 2 · ⏱️ 19.06.2025):

npm install elementari

ZnDraw (🥉21 · ⭐ 49) - A powerful tool for visualizing, modifying, and analysing atomistic systems. EPL-2.0 MD generative JavaScript

- [GitHub](https://github.com/zincware/ZnDraw) (👨‍💻 10 · 🔀 5 · 📦 15 · 📋 380 - 20% open · ⏱️ 20.02.2026):

git clone https://github.com/zincware/ZnDraw

- [PyPi](https://pypi.org/project/zndraw) (📥 6.6K / month · 📦 5 · ⏱️ 26.02.2026):

pip install zndraw

Atomvision (🥉12 · ⭐ 34) - Deep learning framework for atomistic image data. Custom computer-vision experimental-data rep-learn

- [GitHub](https://github.com/usnistgov/atomvision) (👨‍💻 4 · 🔀 17 · 📦 4 · 📋 8 - 50% open · ⏱️ 25.08.2025):

git clone https://github.com/usnistgov/atomvision

- [PyPi](https://pypi.org/project/atomvision) (📥 270 / month · ⏱️ 08.05.2023):

pip install atomvision

Wavefunction methods (ML-WFT)

Projects and models that focus on quantities of wavefunction theory methods, such as Monte Carlo techniques like deep learning variational Monte Carlo (DL-VMC), quantum chemistry methods, etc.

DeepQMC (🥇18 · ⭐ 410 · 💤) - Deep learning quantum Monte Carlo for electrons in real space. MIT

- [GitHub](https://github.com/deepqmc/deepqmc) (👨‍💻 14 · 🔀 62 · 📦 3 · 📋 63 - 6% open · ⏱️ 14.07.2025):

git clone https://github.com/deepqmc/deepqmc

- [PyPi](https://pypi.org/project/deepqmc) (📥 160 / month · ⏱️ 24.09.2024):

pip install deepqmc

FermiNet (🥈15 · ⭐ 820) - An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations. Apache-2 transformer

- [GitHub](https://github.com/google-deepmind/ferminet) (👨‍💻 23 · 🔀 160 · 📋 71 - 4% open · ⏱️ 13.11.2025):

git clone https://github.com/google-deepmind/ferminet

DeepErwin (🥈8 · ⭐ 66 · 💤) - DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions.. Custom

- [GitHub](https://github.com/mdsunivie/deeperwin) (👨‍💻 9 · 🔀 8 · 📥 18 · 📦 2 · ⏱️ 18.04.2025):

git clone https://github.com/mdsunivie/deeperwin

- [PyPi](https://pypi.org/project/deeperwin) (📥 60 / month · ⏱️ 14.12.2021):

pip install deeperwin

JaQMC (🥉7 · ⭐ 92 · 💤) - JAX accelerated Quantum Monte Carlo. Apache-2

- [GitHub](https://github.com/bytedance/jaqmc) (👨‍💻 4 · 🔀 10 · ⏱️ 30.05.2025):

git clone https://github.com/bytedance/jaqmc

Show 3 hidden projects...

- ACEpsi.jl (🥉7 · ⭐ 3 · 💀) - ACE wave function parameterizations. MIT rep-eng Julia - SchNOrb (🥉6 · ⭐ 69 · 💀) - Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions. MIT - LapNet (🥉5 · ⭐ 72 · 💀) - Efficient and Accurate Neural-Network Ansatz for Quantum Monte Carlo. Apache-2

Others

Contribution

Contributions are encouraged and always welcome! If you like to add or update projects, choose one of the following ways:

Open an issue by selecting one of the provided categories from the issue page and fill in the requested information.
Modify the projects.yaml with your additions or changes, and submit a pull request. This can also be done directly via the Github UI.

If you like to contribute to or share suggestions regarding the project metadata collection or markdown generation, please refer to the best-of-generator repository. If you like to create your own best-of list, we recommend to follow this guide.

For more information on how to add or update projects, please read the contribution guidelines. By participating in this project, you agree to abide by its Code of Conduct.

License

Credit by: @github.com/JuDFTteam/best-of-atomistic-machine-learning

September 20, 2024
in Python
27 min read

Awesome Python

# Awesome Python

An opinionated list of awesome Python frameworks, libraries, software and resources.

Inspired by awesome-php.

Admin Panels

Libraries for administrative interfaces.

ajenti - The admin panel your servers deserve.
django-grappelli - A jazzy skin for the Django Admin-Interface.
django-unfold - Elevate your Django admin with a stunning modern interface, powerful features, and seamless user experience.
flask-admin - Simple and extensible administrative interface framework for Flask.
flower - Real-time monitor and web admin for Celery.
func-to-web - Instantly create web UIs from Python functions using type hints. Zero frontend code required.
jet-bridge - Admin panel framework for any application with nice UI (ex Jet Django).
streamlit - A framework which lets you build dashboards, generate reports, or create chat apps in minutes.
wooey - A Django app which creates automatic web UIs for Python scripts.

Algorithms and Design Patterns

Python implementation of data structures, algorithms and design patterns. Also see awesome-algorithms.

Algorithms
algorithms - Minimal examples of data structures and algorithms.
python-ds - A collection of data structure and algorithms for coding interviews.
sortedcontainers - Fast and pure-Python implementation of sorted collections.
thealgorithms - All Algorithms implemented in Python.
Design Patterns
python-cqrs - Event-Driven Architecture Framework with CQRS/CQS, Transaction Outbox, Saga orchestration.
python-patterns - A collection of design patterns in Python.
transitions - A lightweight, object-oriented finite state machine implementation.

ASGI Servers

ASGI-compatible web servers.

daphne - A HTTP, HTTP2 and WebSocket protocol server for ASGI and ASGI-HTTP.
granian - A Rust HTTP server for Python applications built on top of Hyper and Tokio, supporting WSGI/ASGI/RSGI.
hypercorn - An ASGI and WSGI Server based on Hyper libraries and inspired by Gunicorn.
uvicorn - A lightning-fast ASGI server implementation, using uvloop and httptools.

Asynchronous Programming

Libraries for asynchronous, concurrent and parallel execution. Also see awesome-asyncio.

asyncio - (Python standard library) Asynchronous I/O, event loop, coroutines and tasks.
awesome-asyncio
concurrent.futures - (Python standard library) A high-level interface for asynchronously executing callables.
gevent - A coroutine-based Python networking library that uses greenlet.
multiprocessing - (Python standard library) Process-based parallelism.
trio - A friendly library for async concurrency and I/O.
twisted - An event-driven networking engine.
uvloop - Ultra fast asyncio event loop.

Audio

Libraries for manipulating audio and its metadata.

Audio
audioFlux - A library for audio and music analysis, feature extraction.
audioread - Cross-library (GStreamer + Core Audio + MAD + FFmpeg) audio decoding.
dejavu - Audio fingerprinting and recognition.
gTTS - Python library and CLI tool for converting text to speech using Google Translate TTS.
kapre - Keras Audio Preprocessors.
librosa - Python library for audio and music analysis.
matchering - A library for automated reference audio mastering.
mingus - An advanced music theory and notation package with MIDI file and playback support.
pyaudioanalysis - Audio feature extraction, classification, segmentation and applications.
pydub - Manipulate audio with a simple and easy high level interface.
timeside - Open web audio processing framework.
Metadata
beets - A music library manager and MusicBrainz tagger.
eyed3 - A tool for working with audio files, specifically MP3 files containing ID3 metadata.
mutagen - A Python module to handle audio metadata.
tinytag - A library for reading music meta data of MP3, OGG, FLAC and Wave files.

Authentication

Libraries for implementing authentication schemes.

OAuth
authlib - JavaScript Object Signing and Encryption draft implementation.
django-allauth - Authentication app for Django that "just works."
django-oauth-toolkit - OAuth 2 goodies for Django.
oauthlib - A generic and thorough implementation of the OAuth request-signing logic.
JWT
pyjwt - JSON Web Token implementation in Python.
python-jose - A JOSE implementation in Python.

Build Tools

Compile software from source code.

bitbake - A make-like build tool for embedded Linux.
buildout - A build system for creating, assembling and deploying applications from multiple parts.
platformio - A console tool to build code with different development platforms.
pybuilder - A continuous build tool written in pure Python.
scons - A software construction tool.

Built-in Classes Enhancement

Libraries for enhancing Python built-in classes.

attrs - Replacement for __init__, __eq__, __repr__, etc. boilerplate in class definitions.
bidict - Efficient, Pythonic bidirectional map data structures and related functionality.
box - Python dictionaries with advanced dot notation access.
dataclasses - (Python standard library) Data classes.
dotteddict - A library that provides a method of accessing lists and dicts with a dotted path notation.

CMS

Content Management Systems.

feincms - One of the most advanced Content Management Systems built on Django.
indico - A feature-rich event management system, made @ CERN.
wagtail - A Django content management system.

Caching

Libraries for caching data.

beaker - A WSGI middleware for sessions and caching.
django-cache-machine - Automatic caching and invalidation for Django models.
django-cacheops - A slick ORM cache with automatic granular event-driven invalidation.
dogpile.cache - dogpile.cache is a next generation replacement for Beaker made by the same authors.
hermescache - Python caching library with tag-based invalidation and dogpile effect prevention.
pylibmc - A Python wrapper around the libmemcached interface.
python-diskcache - SQLite and file backed cache backend with faster lookups than memcached and redis.

Code Analysis

Tools of static analysis, linters and code quality checkers. Also see awesome-static-analysis.

Code Analysis
code-graph-rag - Builds knowledge graphs from multi-language codebases using Tree-sitter and Memgraph, enabling natural language querying of code structure.
code2flow - Turn your Python and JavaScript code into DOT flowcharts.
prospector - A tool to analyze Python code.
vulture - A tool for finding and analyzing dead Python code.
Code Linters
flake8 - A wrapper around pycodestyle, pyflakes and McCabe.
- awesome-flake8-extensions
pylint - A fully customizable source code analyzer.
ruff - An extremely fast Python linter and code formatter.
Code Formatters
black - The uncompromising Python code formatter.
isort - A Python utility / library to sort imports.
yapf - Yet another Python code formatter from Google.
Static Type Checkers, also see awesome-python-typing
mypy - Check variable types during compile time.
pyre-check - Performant type checking.
ty - An extremely fast Python type checker and language server.
typeshed - Collection of library stubs for Python, with static types.
Static Type Annotations Generators
monkeytype - A system for Python that generates static type annotations by collecting runtime types.
pytype - Pytype checks and infers types for Python code - without requiring type annotations.

Command-line Interface Development

Libraries for building command-line applications.

Command-line Application Development
argparse - (Python standard library) Command-line option and argument parsing.
cement - CLI Application Framework for Python.
click - A package for creating beautiful command line interfaces in a composable way.
cliff - A framework for creating command-line programs with multi-level commands.
python-fire - A library for creating command line interfaces from absolutely any Python object.
python-prompt-toolkit - A library for building powerful interactive command lines.
Typer - Modern CLI framework that uses Python type hints. Built on Click and Pydantic.
Terminal Rendering
alive-progress - A new kind of Progress Bar, with real-time throughput, eta and very cool animations.
asciimatics - A package to create full-screen text UIs (from interactive forms to ASCII animations).
bashplotlib - Making basic plots in the terminal.
colorama - Cross-platform colored terminal text.
rich - Python library for rich text and beautiful formatting in the terminal. Also provides a great RichHandler log handler.
textual - A framework for building interactive user interfaces that run in the terminal and the browser.
tqdm - Fast, extensible progress bar for loops and CLI.

Command-line Tools

Useful CLI-based tools for productivity.

Productivity Tools
ccb - A CLI tool to orchestrate multiple LLMs (Claude, Gemini, etc.) in Tmux panes with cross-agent interaction.
cookiecutter - A command-line utility that creates projects from cookiecutters (project templates).
copier - A library and command-line utility for rendering projects templates.
doitlive - A tool for live presentations in the terminal.
howdoi - Instant coding answers via the command line.
invoke - A tool for managing shell-oriented subprocesses and organizing executable Python code into CLI-invokable tasks.
pathpicker - Select files out of bash output.
thefuck - Correcting your previous console command.
tmuxp - A tmux session manager.
try - A dead simple CLI to try out python packages - it's never been easier.
CLI Enhancements
httpie - A command line HTTP client, a user-friendly cURL replacement.
iredis - Redis CLI with autocompletion and syntax highlighting.
litecli - SQLite CLI with autocompletion and syntax highlighting.
mycli - MySQL CLI with autocompletion and syntax highlighting.
pgcli - PostgreSQL CLI with autocompletion and syntax highlighting.

Computer Vision

Libraries for Computer Vision.

easyocr - Ready-to-use OCR with 40+ languages supported.
kornia - Open Source Differentiable Computer Vision Library for PyTorch.
opencv - Open Source Computer Vision Library.
pytesseract - A wrapper for Google Tesseract OCR.
tesserocr - Another simple, Pillow-friendly, wrapper around the tesseract-ocr API for OCR.

Configuration Files

Libraries for storing and parsing configuration options.

configobj - INI file parser with validation.
configparser - (Python standard library) INI file parser.
dynaconf - Dynaconf is a configuration manager with plugins for Django, Flask and FastAPI.
hydra - Hydra is a framework for elegantly configuring complex applications.
python-decouple - Strict separation of settings from code.

Cryptography

cryptography - A package designed to expose cryptographic primitives and recipes to Python developers.
paramiko - The leading native Python SSHv2 protocol library.
pynacl - Python binding to the Networking and Cryptography (NaCl) library.

Data Analysis

Libraries for data analysis.

aws-sdk-pandas - Pandas on AWS.
datasette - An open source multi-tool for exploring and publishing data.
desbordante - An open source data profiler for complex pattern discovery.
docling - Library for converting documents into structured data.
optimus - Agile Data Science Workflows made easy with PySpark.
pandas - A library providing high-performance, easy-to-use data structures and data analysis tools.
pathway - Real-time data processing framework for Python with reactive dataflows.
polars - A fast DataFrame library implemented in Rust with a Python API.

Data Validation

Libraries for validating data. Used for forms in many cases.

cerberus - A lightweight and extensible data validation library.
colander - Validating and deserializing data obtained via XML, JSON, an HTML form post.
jsonschema - An implementation of JSON Schema for Python.
pydantic - Data validation using Python type hints.
schema - A library for validating Python data structures.
schematics - Data Structure Validation.
voluptuous - A Python data validation library.

Data Visualization

Libraries for visualizing data. Also see awesome-javascript.

altair - Declarative statistical visualization library for Python.
bokeh - Interactive Web Plotting for Python.
bqplot - Interactive Plotting Library for the Jupyter Notebook.
cartopy - A cartographic python library with matplotlib support.
diagrams - Diagram as Code.
matplotlib - A Python 2D plotting library.
plotly - Interactive graphing library for Python.
plotnine - A grammar of graphics for Python based on ggplot2.
pygal - A Python SVG Charts Creator.
pygraphviz - Python interface to Graphviz.
pyqtgraph - Interactive and realtime 2D/3D/Image plotting and science/engineering widgets.
seaborn - Statistical data visualization using Matplotlib.
UltraPlot - Matplotlib wrapper for publication-ready scientific figures with minimal code. Includes advanced subplot management, panel layouts, and batteries-included geoscience plotting.
vispy - High-performance scientific visualization based on OpenGL.

Database

Databases implemented in Python.

DuckDB - An in-process SQL OLAP database management system; optimized for analytics and fast queries, similar to SQLite but for analytical workloads.
pickleDB - A simple and lightweight key-value store for Python.
tinydb - A tiny, document-oriented database.
zodb - A native object database for Python. A key-value and object graph database.

Database Drivers

Libraries for connecting and operating databases.

MySQL - awesome-mysql
mysqlclient - MySQL connector with Python 3 support (mysql-python fork).
pymysql - A pure Python MySQL driver compatible to mysql-python.
PostgreSQL - awesome-postgres
psycopg - The most popular PostgreSQL adapter for Python.
SQlite - awesome-sqlite
sqlite-utils - Python CLI utility and library for manipulating SQLite databases.
sqlite3 - (Python standard library) SQlite interface compliant with DB-API 2.0.
Other Relational Databases
clickhouse-driver - Python driver with native interface for ClickHouse.
pymssql - A simple database interface to Microsoft SQL Server.
NoSQL Databases
cassandra-driver - The Python Driver for Apache Cassandra.
Django MongoDB Backend - Official MongoDB database backend for Django.
kafka-python - The Python client for Apache Kafka.
pymongo - The official Python client for MongoDB.
redis-py - The Python client for Redis.
Beanie - An asynchronous Python object-document mapper (ODM) for MongoDB.

Date and Time

Libraries for working with dates and times.

arrow - A Python library that offers a sensible and human-friendly approach to creating, manipulating, formatting and converting dates, times and timestamps.
dateutil - Extensions to the standard Python datetime module.
pendulum - Python datetimes made easy.
pytz - World timezone definitions, modern and historical. Brings the tz database into Python.

Debugging Tools

Libraries for debugging code.

pdb-like Debugger
ipdb - IPython-enabled pdb.
pudb - A full-screen, console-based Python debugger.
Tracing
manhole - Debugging UNIX socket connections and present the stacktraces for all threads and an interactive prompt.
python-hunter - A flexible code tracing toolkit.
Profiler
py-spy - A sampling profiler for Python programs. Written in Rust.
vprof - Visual Python profiler.
Others
django-debug-toolbar - Display various debug information for Django.
flask-debugtoolbar - A port of the django-debug-toolbar to flask.
icecream - Inspect variables, expressions, and program execution with a single, simple function call.
memory-graph - Visualize Python data at runtime to debug references, mutability, and aliasing.
pyelftools - Parsing and analyzing ELF files and DWARF debugging information.

Deep Learning

Frameworks for Neural Networks and Deep Learning. Also see awesome-deep-learning.

jax - a library for high-performance numerical computing with automatic differentiation and JIT compilation.
keras - A high-level neural networks library and capable of running on top of either TensorFlow or Theano.
pytorch-lightning - Deep learning framework to train, deploy, and ship AI products Lightning fast.
pytorch - Tensors and Dynamic neural networks in Python with strong GPU acceleration.
stable-baselines3 - PyTorch implementations of Stable Baselines (deep) reinforcement learning algorithms.
tensorflow - The most popular Deep Learning framework created by Google.
vllm - A high-throughput and memory-efficient inference and serving engine for LLMs.

DevOps Tools

Software and libraries for DevOps.

Cloud Providers
boto3 - Python interface to Amazon Web Services.
Configuration Management
ansible - A radically simple IT automation platform.
cloudinit - A multi-distribution package that handles early initialization of a cloud instance.
openstack - Open source software for building private and public clouds.
pyinfra - A versatile CLI tools and python libraries to automate infrastructure.
saltstack - Infrastructure automation and management system.
SSH-style Deployment
cuisine - Chef-like functionality for Fabric.
fabric - A simple, Pythonic tool for remote execution and deployment.
Process Management
supervisor - Supervisor process control system for UNIX.
Monitoring
psutil - A cross-platform process and system utilities module.
Backup
borg - A deduplicating archiver with compression and encryption.
Chaos Engineering
chaostoolkit - A Chaos Engineering toolkit & Orchestration for Developers.

Distributed Computing

Frameworks and libraries for Distributed Computing.

Batch Processing
dask - A flexible parallel computing library for analytic computing.
luigi - A module that helps you build complex pipelines of batch jobs.
mpi4py - Python bindings for MPI.
PySpark - Apache Spark Python API.
Ray - A system for parallel and distributed Python that unifies the machine learning ecosystem.
Stream Processing
streamparse - Run Python code against real-time streams of data via Apache Storm.

Distribution

Libraries to create packaged executables for release distribution.

cx_freeze - It is a Python tool that converts Python scripts into standalone executables and installers for Windows, macOS, and Linux.
Nuitka - Compiles Python programs into high-performance standalone executables (cross-platform, supports all Python versions).
py2app - Freezes Python scripts (Mac OS X).
py2exe - Freezes Python scripts (Windows).
pyarmor - A tool used to obfuscate python scripts, bind obfuscated scripts to fixed machine or expire obfuscated scripts.
pyinstaller - Converts Python programs into stand-alone executables (cross-platform).
shiv - A command line utility for building fully self-contained zipapps (PEP 441), but with all their dependencies included.

Documentation

Libraries for generating project documentation.

sphinx - Python Documentation generator.
awesome-sphinxdoc
pdoc - Epydoc replacement to auto generate API documentation for Python libraries.

Downloader

Libraries for downloading.

akshare - A financial data interface library, built for human beings!
edgartools - Library for downloading structured data from SEC EDGAR filings and XBRL financial statements.
OpenBB - A financial data platform for analysts, quants and AI agents.
s3cmd - A command line tool for managing Amazon S3 and CloudFront.
yfinance - Easy Pythonic way to download market and financial data from Yahoo Finance.
youtube-dl - A command-line program to download videos from YouTube and other video sites.

Editor Plugins and IDEs

Emacs
elpy - Emacs Python Development Environment.
Vim
jedi-vim - Vim bindings for the Jedi auto-completion library for Python.
python-mode - An all in one plugin for turning Vim into a Python IDE.
YouCompleteMe - Includes Jedi-based completion engine for Python.
Visual Studio
PTVS - Python Tools for Visual Studio.
Visual Studio Code
Python - The official VSCode extension with rich support for Python.
IDE
PyCharm - Commercial Python IDE by JetBrains. Has free community edition available.
spyder - Open Source Python IDE.

Email

Libraries for sending and parsing email.

Mail Servers
modoboa - A mail hosting and management platform including a modern Web UI.
Clients
imbox - Python IMAP for Humans.
yagmail - Yet another Gmail/SMTP client.
Others
flanker - An email address and Mime parsing library.
mailer - High-performance extensible mail delivery framework.

Environment Management

Libraries for Python version and virtual environment management.

pyenv - Simple Python version management.
pyenv-win - Pyenv for Windows, Simple Python version management.
uv - An extremely fast Python package and project manager, written in Rust.
virtualenv - A tool to create isolated Python environments.

File Manipulation

Libraries for file manipulation.

markitdown - Python tool for converting files and office documents to Markdown.
mimetypes - (Python standard library) Map filenames to MIME types.
path.py - A module wrapper for os.path.
pathlib - (Python standard library) A cross-platform, object-oriented path library.
python-magic - A Python interface to the libmagic file type identification library.
watchdog - API and shell utilities to monitor file system events.
watchfiles - Simple, modern and fast file watching and code reload in python.

Functional Programming

Functional Programming with Python.

coconut - A variant of Python built for simple, elegant, Pythonic functional programming.
cytoolz - Cython implementation of Toolz: High performance functional utilities.
functools - (Python standard library) Higher-order functions and operations on callable objects.
funcy - A fancy and practical functional tools.
more-itertools - More routines for operating on iterables, beyond itertools.
returns - A set of type-safe monads, transformers, and composition utilities.
toolz - A collection of functional utilities for iterators, functions, and dictionaries.

GUI Development

Libraries for working with graphical user interface applications.

curses - Built-in wrapper for ncurses used to create terminal GUI applications.
CustomTkinter - A modern and customizable python UI-library based on Tkinter.
DearPyGui - A Simple GPU accelerated Python GUI framework
enaml - Creating beautiful user-interfaces with Declarative Syntax like QML.
Flet - Cross-platform GUI framework for building modern apps in pure Python.
Flexx - Flexx is a pure Python toolkit for creating GUI's, that uses web technology for its rendering.
Gooey - Turn command line programs into a full GUI application with one line.
kivy - A library for creating NUI applications, running on Windows, Linux, Mac OS X, Android and iOS.
NiceGUI - An easy-to-use, Python-based UI framework, which shows up in your web browser.
pyglet - A cross-platform windowing and multimedia library for Python.
PyGObject - Python Bindings for GLib/GObject/GIO/GTK+ (GTK+3).
PySide - Qt for Python offers the official Python bindings for Qt, this is same as PyQt but it's the official binding with different licensing.
PyQt - Python bindings for the Qt cross-platform application and UI framework.
pywebview - A lightweight cross-platform native wrapper around a webview component.
Tkinter - Tkinter is Python's de-facto standard GUI package.
Toga - A Python native, OS native GUI toolkit.
urwid - A library for creating terminal GUI applications with strong support for widgets, events, rich colors, etc.
wxPython - A blending of the wxWidgets C++ class library with the Python.

GraphQL

Libraries for working with GraphQL.

graphene - GraphQL framework for Python.
strawberry-django - Strawberry GraphQL integration with Django.

Game Development

Awesome game development libraries.

Arcade - Arcade is a modern Python framework for crafting games with compelling graphics and sound.
Cocos2d - A framework for building 2D games, demos, and other graphical/interactive applications.
Harfang3D - Python framework for 3D, VR and game development.
Panda3D - 3D game engine developed by Disney.
Pygame - Pygame is a set of Python modules designed for writing games.
PyOgre - Python bindings for the Ogre 3D render engine, can be used for games, simulations, anything 3D.
PyOpenGL - Python ctypes bindings for OpenGL and it's related APIs.
PySDL2 - A ctypes based wrapper for the SDL2 library.
RenPy - A Visual Novel engine.

Geolocation

Libraries for geocoding addresses and working with latitudes and longitudes.

django-countries - A Django app that provides a country field for models and forms.
geodjango - A world-class geographic web framework.
geojson - Python bindings and utilities for GeoJSON.
geopandas - Python tools for geographic data (GeoSeries/GeoDataFrame) built on pandas.
geopy - Python Geocoding Toolbox.

HTML Manipulation

Libraries for working with HTML and XML.

beautifulsoup - Providing Pythonic idioms for iterating, searching, and modifying HTML or XML.
cssutils - A CSS library for Python.
html5lib - A standards-compliant library for parsing and serializing HTML documents and fragments.
JustHTML - A pure Python HTML5 parser that just works.
lxml - A very fast, easy-to-use and versatile library for handling HTML and XML.
markupsafe - Implements a XML/HTML/XHTML Markup safe string for Python.
pyquery - A jQuery-like library for parsing HTML.
untangle - Converts XML documents to Python objects for easy access.
WeasyPrint - A visual rendering engine for HTML and CSS that can export to PDF.
xmldataset - Simple XML Parsing.
xmltodict - Working with XML feel like you are working with JSON.

HTTP Clients

Libraries for working with HTTP.

httpx - A next generation HTTP client for Python.
requests - HTTP Requests for Humans.
treq - Python requests like API built on top of Twisted's HTTP client.
urllib3 - A HTTP library with thread-safe connection pooling, file post support, sanity friendly.

Hardware

Libraries for programming with hardware.

bleak - A cross platform Bluetooth Low Energy Client for Python using asyncio.
mouse - Hook and simulate global mouse events on Windows and Linux.
pynput - A library to control and monitor input devices.
scapy - A brilliant packet manipulation library.

Image Processing

Libraries for manipulating images.

pillow - Pillow is the friendly PIL fork.
pymatting - A library for alpha matting.
python-barcode - Create barcodes in Python with no extra dependencies.
python-qrcode - A pure Python QR Code generator.
pyvips - A fast image processing library with low memory needs.
quads - Computer art based on quadtrees.
scikit-image - A Python library for (scientific) image processing.
thumbor - A smart imaging service. It enables on-demand crop, re-sizing and flipping of images.
wand - Python bindings for MagickWand, C API for ImageMagick.

Implementations

Implementations of Python.

clpython - Implementation of the Python programming language written in Common Lisp.
cpython - Default, most widely used implementation of the Python programming language written in C.
cython - Optimizing Static Compiler for Python.
ironpython - Implementation of the Python programming language written in C#.
micropython - A lean and efficient Python programming language implementation.
numba - Python JIT compiler to LLVM aimed at scientific Python.
peachpy - x86-64 assembler embedded in Python.
pypy - A very fast and compliant implementation of the Python language.
pyston - A Python implementation using JIT techniques.

Interactive Interpreter

Interactive Python interpreters (REPL).

bpython - A fancy interface to the Python interpreter.
Jupyter Notebook (IPython) - A rich toolkit to help you make the most out of using Python interactively.
awesome-jupyter
marimo - Transform data and train models, feels like a next-gen notebook, stored as Git-friendly Python.
ptpython - Advanced Python REPL built on top of the python-prompt-toolkit.

Internationalization

Libraries for working with i18n.

Babel - An internationalization library for Python.

Job Scheduler

Libraries for scheduling jobs.

Airflow - Airflow is a platform to programmatically author, schedule and monitor workflows.
APScheduler - A light but powerful in-process task scheduler that lets you schedule functions.
django-schedule - A calendaring app for Django.
doit - A task runner and build tool.
Joblib - A set of tools to provide lightweight pipelining in Python.
Plan - Writing crontab file in Python like a charm.
Prefect - A modern workflow orchestration framework that makes it easy to build, schedule and monitor robust data pipelines.
schedule - Python job scheduling for humans.
Spiff - A powerful workflow engine implemented in pure Python.
TaskFlow - A Python library that helps to make task execution easy, consistent and reliable.

Logging

Libraries for generating and working with logs.

logbook - Logging replacement for Python.
logging - (Python standard library) Logging facility for Python.
loguru - Library which aims to bring enjoyable logging in Python.
sentry-python - Sentry SDK for Python.
structlog - Structured logging made easy.

Machine Learning

Libraries for Machine Learning. Also see awesome-machine-learning.

diffusers - A library that provides pretrained diffusion models for generating and editing images, audio, and video.
gym - A toolkit for developing and comparing reinforcement learning algorithms.
Feature-engine - sklearn compatible API with the widest toolset for feature engineering and selection.
H2O - Open Source Fast Scalable Machine Learning Platform.
Instructor - A library for extracting structured data from LLMs, powered by Pydantic.
LangChain - Building applications with LLMs through composability.
LlamaIndex - A data framework for your LLM application.
Metrics - Machine learning evaluation metrics.
MindsDB - MindsDB is an open source AI layer for existing databases that allows you to effortlessly develop, train and deploy state-of-the-art machine learning models using standard queries.
PraisonAI - Production-ready Multi-AI Agents framework with self-reflection, 100+ LLM support, MCP integration, and agentic workflows.
pydantic-ai - A Python agent framework for building generative AI applications with structured schemas.
RAGFlow - An open-source RAG engine for document understanding and question answering with LLMs.
rasa - An open-source machine learning framework for automated text and voice-based conversations.
scikit-learn - The most popular Python library for Machine Learning with extensive documentation and community support.
Spark ML - Apache Spark's scalable Machine Learning library for distributed computing.
Transformers - A framework that lets you easily use pretrained transformer models for NLP, vision, and audio tasks.
xgboost - A scalable, portable, and distributed gradient boosting library.

Microsoft Windows

Python programming on Microsoft Windows.

PythonNet - Python Integration with the .NET Common Language Runtime (CLR).
PyWin32 - Python Extensions for Windows.
WinPython - Portable development environment for Windows 10/11.

Miscellaneous

Useful libraries or tools that don't fit in the categories above.

blinker - A fast Python in-process signal/event dispatching system.
boltons - A set of pure-Python utilities.
itsdangerous - Various helpers to pass trusted data to untrusted environments.
pluginbase - A simple but flexible plugin system for Python.
tryton - A general-purpose business framework.

Natural Language Processing

Libraries for working with human languages.

General
gensim - Topic Modeling for Humans.
langid.py - Stand-alone language identification system.
nltk - A leading platform for building Python programs to work with human language data.
pattern - A web mining module.
polyglot - Natural language pipeline supporting hundreds of languages.
spacy - A library for industrial-strength natural language processing in Python and Cython.
Stanza - The Stanford NLP Group's official Python library, supporting 60+ languages.
Chinese
funNLP - A collection of tools and datasets for Chinese NLP.
jieba - The most popular Chinese text segmentation library.
pkuseg-python - A toolkit for Chinese word segmentation in various domains.
snownlp - A library for processing Chinese text.

Network Virtualization

Tools and libraries for Virtual Networking and SDN (Software Defined Networking).

mininet - A popular network emulator and API written in Python.
napalm - Cross-vendor API to manipulate network devices.
pox - A Python-based SDN control applications, such as OpenFlow SDN controllers.

ORM

Libraries that implement Object-Relational Mapping or data mapping techniques.

Relational Databases
Django Models - The Django ORM.
SQLAlchemy - The Python SQL Toolkit and Object Relational Mapper.
- awesome-sqlalchemy
dataset - Store Python dicts in a database - works with SQLite, MySQL, and PostgreSQL.
peewee - A small, expressive ORM.
pony - ORM that provides a generator-oriented interface to SQL.
pydal - A pure Python Database Abstraction Layer.
SQLModel - SQLModel is based on Python type annotations, and powered by Pydantic and SQLAlchemy.
NoSQL Databases
mongoengine - A Python Object-Document-Mapper for working with MongoDB.
ODMantic - Sync and Async ODM for MongoDB built on top of Pydantic for model definition and validation.
PynamoDB - A Pythonic interface for Amazon DynamoDB.

Package Management

Libraries for package and dependency management.

pip - The package installer for Python.
pip-tools - A set of tools to keep your pinned Python dependencies fresh.
conda - Cross-platform, Python-agnostic binary package manager.
hatch - Modern, extensible Python project management.
poetry - Python dependency management and packaging made easy.
uv - An extremely fast Python package and project manager, written in Rust.

Package Repositories

Local PyPI repository server and proxies.

bandersnatch - PyPI mirroring tool provided by Python Packaging Authority (PyPA).
devpi - PyPI server and packaging/testing/release tool.
warehouse - Next generation Python Package Repository (PyPI).

Penetration Testing

Frameworks and tools for penetration testing.

fsociety - A Penetration testing framework.
setoolkit - A toolkit for social engineering.
sherlock - Hunt down social media accounts by username across social networks.
sqlmap - Automatic SQL injection and database takeover tool.

Permissions

Libraries that allow or deny users access to data or functionality.

django-guardian - Implementation of per object permissions for Django 1.2+
django-rules - A tiny but powerful app providing object-level permissions to Django, without requiring a database.

Processes

Libraries for starting and communicating with OS processes.

delegator.py - Subprocesses for Humans 2.0.
sarge - Yet another wrapper for subprocess.
sh - A full-fledged subprocess replacement for Python.

Quantum Computing

Libraries for quantum computing.

Cirq — A Google-developed framework focused on hardware-aware quantum circuit design for NISQ devices.
PennyLane — A hybrid quantum-classical machine learning library with automatic differentiation support.
Qiskit — An IBM-backed quantum SDK for building, simulating, and running circuits on real quantum hardware.
QuTiP - Quantum Toolbox in Python.

Recommender Systems

Libraries for building recommender systems.

annoy - Approximate Nearest Neighbors in C++/Python optimized for memory usage.
fastFM - A library for Factorization Machines.
implicit - A fast Python implementation of collaborative filtering for implicit datasets.
lightfm - A Python implementation of a number of popular recommendation algorithms.
spotlight - Deep recommender models using PyTorch.
Surprise - A scikit for building and analyzing recommender systems.
tensorrec - A Recommendation Engine Framework in TensorFlow.

Refactoring

Refactoring tools and libraries for Python.

Bowler - Safe code refactoring for modern Python.
Rope - Rope is a python refactoring library.

RESTful API

Libraries for building RESTful APIs.

Django
django-rest-framework - A powerful and flexible toolkit to build web APIs.
django-tastypie - Creating delicious APIs for Django apps.
Flask
eve - REST API framework powered by Flask, MongoDB and good intentions.
flask-api - Browsable Web APIs for Flask.
flask-restful - Quickly building REST APIs for Flask.
Pyramid
cornice - A RESTful framework for Pyramid.
Framework agnostic
falcon - A high-performance framework for building cloud APIs and web app backends.
fastapi - A modern, fast, web framework for building APIs with Python 3.6+ based on standard Python type hints.
hug - A Python 3 framework for cleanly exposing APIs.
sandman2 - Automated REST APIs for existing database-driven systems.
sanic - A Python 3.6+ web server and web framework that's written to go fast.

Robotics

Libraries for robotics.

PythonRobotics - This is a compilation of various robotics algorithms with visualizations.

RPC Servers

RPC-compatible servers.

RPyC (Remote Python Call) - A transparent and symmetric RPC library for Python
zeroRPC - zerorpc is a flexible RPC implementation based on ZeroMQ and MessagePack.

Science

Libraries for scientific computing. Also see Python-for-Scientists.

astropy - A community Python library for Astronomy.
bcbio-nextgen - Providing best-practice pipelines for fully automated high throughput sequencing analysis.
bcbb - Collection of useful code related to biological analysis.
Biopython - Biopython is a set of freely available tools for biological computation.
cclib - A library for parsing and interpreting the results of computational chemistry packages.
Colour - Implementing a comprehensive number of colour theory transformations and algorithms.
Karate Club - Unsupervised machine learning toolbox for graph structured data.
manim - An animation engine for explanatory math videos.
NetworkX - A high-productivity software for complex networks.
NIPY - A collection of neuroimaging toolkits.
NumPy - A fundamental package for scientific computing with Python.
ObsPy - A Python toolbox for seismology.
Open Babel - A chemical toolbox designed to speak the many languages of chemical data.
PathSim - A block-based system modeling and simulation framework with a browser-based visual editor.
PyDy - Short for Python Dynamics, used to assist with workflow in the modeling of dynamic motion.
PyMC - Markov Chain Monte Carlo sampling toolkit.
RDKit - Cheminformatics and Machine Learning Software.
SciPy - A Python-based ecosystem of open-source software for mathematics, science, and engineering.
shapely - Manipulation and analysis of geometric objects in the Cartesian plane.
SimPy - A process-based discrete-event simulation framework.
statsmodels - Statistical modeling and econometrics in Python.
SymPy - A Python library for symbolic mathematics.
Zipline - A Pythonic algorithmic trading library.

Search

Libraries and software for indexing and performing search queries on data.

django-haystack - Modular search for Django.
elasticsearch-dsl-py - The official high-level Python client for Elasticsearch.
elasticsearch-py - The official low-level Python client for Elasticsearch.
pysolr - A lightweight Python wrapper for Apache Solr.
whoosh - A fast, pure Python search engine library.

Serialization

Libraries for serializing complex data types.

marshmallow - A lightweight library for converting complex objects to and from simple Python datatypes.
orjson - Fast, correct JSON library.
pysimdjson - A Python bindings for simdjson.
python-rapidjson - A Python wrapper around RapidJSON.
toonify - A compact, human-readable serialization format that reduces LLM token usage by 30-60% compared to JSON.
ultrajson - A fast JSON decoder and encoder written in C with Python bindings.

Serverless Frameworks

Frameworks for developing serverless Python code.

python-lambda - A toolkit for developing and deploying Python code in AWS Lambda.
Zappa - A tool for deploying WSGI applications on AWS Lambda and API Gateway.

Shell

Shells built with Python.

xonsh - A Python-powered shell. Full-featured and cross-platform.

Specific Formats Processing

Libraries for parsing and manipulating specific text formats.

General
kreuzberg - High-performance document extraction library with a Rust core, supporting 62+ formats including PDF, Office, images with OCR, HTML, email, and archives.
tablib - A module for Tabular Datasets in XLS, CSV, JSON, YAML.
Office
docxtpl - Editing a docx document by jinja2 template
openpyxl - A library for reading and writing Excel 2010 xlsx/xlsm/xltx/xltm files.
pyexcel - Providing one API for reading, manipulating and writing csv, ods, xls, xlsx and xlsm files.
python-docx - Reads, queries and modifies Microsoft Word 2007/2008 docx files.
python-pptx - Python library for creating and updating PowerPoint (.pptx) files.
XlsxWriter - A Python module for creating Excel .xlsx files.
xlwings - A BSD-licensed library that makes it easy to call Python from Excel and vice versa.
PDF
pdf_oxide - A fast PDF library for text extraction, image extraction, and markdown conversion, powered by Rust.
pdfminer.six - Pdfminer.six is a community maintained fork of the original PDFMiner.
pikepdf - A powerful library for reading and editing PDF files, based on qpdf.
PyPDF2 - A library capable of splitting, merging and transforming PDF pages.
ReportLab - Allowing Rapid creation of rich PDF documents.
Markdown
Jimmy - Convert your notes to Markdown.
Mistune - Fastest and full featured pure Python parsers of Markdown.
Python-Markdown - A Python implementation of John Gruber’s Markdown.
YAML
PyYAML - YAML implementations for Python.
CSV
csvkit - Utilities for converting to and working with CSV.
Archive
unp - A command line tool that can unpack archives easily.

Static Site Generator

Static site generator is a software that takes some text + templates as input and produces HTML files on the output.

lektor - An easy to use static CMS and blog engine.
makesite - Simple, lightweight, and magic-free static site/blog generator (< 130 lines).
mkdocs - Markdown friendly documentation generator.
nikola - A static website and blog generator.
pelican - Static site generator that supports Markdown and reST syntax.

Task Queues

Libraries for working with task queues.

celery - An asynchronous task queue/job queue based on distributed message passing.
dramatiq - A fast and reliable background task processing library for Python 3.
huey - Little multi-threaded task queue.
mrq - A distributed worker task queue in Python using Redis & gevent.
rq - Simple job queues for Python.

Template Engine

Libraries and tools for templating and lexing.

Genshi - Python templating toolkit for generation of web-aware output.
Jinja2 - A modern and designer friendly templating language.
Mako - Hyperfast and lightweight templating for the Python platform.

Testing

Libraries for testing codebases and generating test data.

Testing Frameworks
hypothesis - Hypothesis is an advanced Quickcheck style property based testing library.
nose2 - The successor to nose, based on `unittest2.
pytest - A mature full-featured Python testing tool.
Robot Framework - A generic test automation framework.
ScanAPI - Automated Testing and Documentation for your REST API.
unittest - (Python standard library) Unit testing framework.
Test Runners
green - A clean, colorful test runner.
mamba - The definitive testing tool for Python. Born under the banner of BDD.
tox - Auto builds and tests distributions in multiple Python versions
GUI / Web Testing
locust - Scalable user load testing tool written in Python.
PyAutoGUI - PyAutoGUI is a cross-platform GUI automation Python module for human beings.
Schemathesis - A tool for automatic property-based testing of web applications built with Open API / Swagger specifications.
Selenium - Python bindings for Selenium WebDriver.
splinter - Open source tool for testing web applications.
Mock
doublex - Powerful test doubles framework for Python.
freezegun - Travel through time by mocking the datetime module.
httmock - A mocking library for requests for Python 2.6+ and 3.2+.
httpretty - HTTP request mock tool for Python.
mock - (Python standard library) A mocking and patching library.
mocket - A socket mock framework with gevent/asyncio/SSL support.
responses - A utility library for mocking out the requests Python library.
VCR.py - Record and replay HTTP interactions on your tests.
Object Factories
factory_boy - A test fixtures replacement for Python.
mixer - Another fixtures replacement. Supports Django, Flask, SQLAlchemy, Peewee and etc.
polyfactory - mock data generation library with support to classes (continuation of pydantic-factories)
Code Coverage
coverage - Code coverage measurement.
Fake Data
faker - A Python package that generates fake data.
mimesis - is a Python library that help you generate fake data.

Text Processing

Libraries for parsing and manipulating plain texts.

General
chardet - Python ⅔ compatible character encoding detector.
difflib - (Python standard library) Helpers for computing deltas.
ftfy - Makes Unicode text less broken and more consistent automagically.
Levenshtein - Fast computation of Levenshtein distance and string similarity.
pangu.py - Paranoid text spacing.
pyfiglet - An implementation of figlet written in Python.
pypinyin - Convert Chinese hanzi (漢字) to pinyin (拼音).
textdistance - Compute distance between sequences with 30+ algorithms.
unidecode - ASCII transliterations of Unicode text.
Slugify
awesome-slugify - A Python slugify library that can preserve unicode.
python-slugify - A Python slugify library that translates unicode to ASCII.
unicode-slugify - A slugifier that generates unicode slugs with Django as a dependency.
Unique identifiers
hashids - Implementation of hashids in Python.
shortuuid - A generator library for concise, unambiguous and URL-safe UUIDs.
Parser
pygments - A generic syntax highlighter.
pyparsing - A general purpose framework for generating parsers.
python-nameparser - Parsing human names into their individual components.
python-phonenumbers - Parsing, formatting, storing and validating international phone numbers.
python-user-agents - Browser user agent parser.
sqlparse - A non-validating SQL parser.

URL Manipulation

Libraries for parsing URLs.

furl - A small Python library that makes parsing and manipulating URLs easy.
purl - A simple, immutable URL class with a clean API for interrogation and manipulation.
webargs - A friendly library for parsing HTTP request arguments with built-in support for popular web frameworks.

Video

Libraries for manipulating video and GIFs.

moviepy - A module for script-based movie editing with many formats, including animated GIFs.
scikit-video - Video processing routines for SciPy.
vidgear - Most Powerful multi-threaded Video Processing framework.

Web Asset Management

Tools for managing, compressing and minifying website assets.

django-compressor - Compresses linked and inline JavaScript or CSS into a single cached file.
django-pipeline - An asset packaging library for Django.
django-storages - A collection of custom storage back ends for Django.
fanstatic - Packages, optimizes, and serves static file dependencies as Python packages.
flask-assets - Helps you integrate webassets into your Flask app.
webassets - Bundles, optimizes, and manages unique cache-busting URLs for static resources.

Web Content Extracting

Libraries for extracting web contents.

html2text - Convert HTML to Markdown-formatted text.
lassie - Web Content Retrieval for Humans.
micawber - A small library for extracting rich content from URLs.
newspaper - News extraction, article extraction and content curation in Python.
python-readability - Fast Python port of arc90's readability tool.
requests-html - Pythonic HTML Parsing for Humans.
sumy - A module for automatic summarization of text documents and HTML pages.
textract - Extract text from any document, Word, PowerPoint, PDFs, etc.
toapi - Every web site provides APIs.

Web Crawling

Libraries to automate web scraping.

browser-use - Make websites accessible for AI agents with easy browser automation.
feedparser - Universal feed parser.
grab - Site scraping framework.
mechanicalsoup - A Python library for automating interaction with websites.
scrapy - A fast high-level screen scraping and web crawling framework.

Web Frameworks

Traditional full stack web frameworks. Also see RESTful API.

Synchronous
django - The most popular web framework in Python.
- awesome-django
flask - A microframework for Python.
- awesome-flask
pyramid - A small, fast, down-to-earth, open source Python web framework.
- awesome-pyramid
fastHTML - The fastest way to create an HTML app.
- awesome-fasthtml
masonite - The modern and developer centric Python web framework.
Asynchronous
Litestar - Production-ready, capable and extensible ASGI Web framework.
microdot - The impossibly small web framework for Python and MicroPython.
reflex – A framework for building reactive, full-stack web applications entirely with python .
tornado - A web framework and asynchronous networking library.

WebSocket

Libraries for working with WebSocket.

autobahn-python - WebSocket & WAMP for Python on Twisted and asyncio.
channels - Developer-friendly asynchrony for Django.
websockets - A library for building WebSocket servers and clients with a focus on correctness and simplicity.

WSGI Servers

WSGI-compatible web servers.

gunicorn - Pre-forked, ported from Ruby's Unicorn project.
uwsgi - A project aims at developing a full stack for building hosting services, written in C.
waitress - Multi-threaded, powers Pyramid.
werkzeug - A WSGI utility library for Python that powers Flask and can easily be embedded into your own projects.

Resources

Where to discover learning resources or new Python libraries.

Newsletters

Podcasts

Contributing

Your contributions are always welcome! Please take a look at the contribution guidelines first.

If you have any question about this opinionated list, do not hesitate to contact @VintaChen on Twitter.

Credit by: @github.com/vinta/awesome-python

January 25, 2024
in Science, Latex
4 min read

BibTeX Generator

Have you ever found yourself weary and uninspired from the tedious task of manually creating BibTeX entries for your paper?

There are, indeed, support tools and plugins that are bundled with reference managers such as Zotero, Mendeley, etc. These tools can automate the generation of a .bib file. To use them, you need to install a reference manager, its associated plugins, and a library of papers on your computer. However, these tools are not flawless. The BibTeX entries they generate often contain incomplete information, are poorly formatted, and include numerous unnecessary fields. You then still need to manually check and correct the entries.

There are the times you just need to cite a paper or two, and you don't want to go through the hassle of the aforementioned complex process. In such situations, a simple tool that allows you to quickly copy and paste a BibTeX entry into your .bib file would be ideal. Think of such a simple tool, I have looked around the Chrome extension store to see if there is any that can pick up the Bibtex while you are browsing the paper. I found some, but they do not really work.

Therefore, I decided to create my own tool to address this dilemma. I developed a Chrome extension that can generate the BibTeX entry for any browsing URL with just one click. I named it the 1click BibTeX. It delivers exactly what it is expected and has proven to be quite helpful. This extension, along with the Latex tools, will ensure that the manuscript's citations are properly formatted before they are delivered to the journal.

Usage

Install the 1click BibTeX extension on your Chrome browser. Then, whenever you're browsing a paper or any URL, just click on the extension icon, and the BibTeX entry will be instantly generated and copied to your clipboard. The remaining thing is just paste it to your .bib file.

BibTeX generator

I've tested the extension on numerous publishers and websites with varying structures and it works consistently as it was designed. The tested publishers include Elsevier, Wiley, ACS, IOP, AIP, APS, arXiv,...

Below are some examples of BibTeX entries generated by the extension 1click BibTeX:

Article on Elsevier: 10.1016/j.commatsci.2018.10.023

@article{nguyen2019pattern,
    title = {Pattern transformation induced by elastic instability of metallic porous structures},
    author = {Cao Thang Nguyen and Duc Tam Ho and Seung Tae Choi and Doo-Man Chun and Sung Youb Kim },
    year = {2019},
    month = {2},
    journal = {Computational Materials Science},
    publisher = {Elsevier},
    volume = {157},
    pages = {17-24},
    doi = {10.1016/j.commatsci.2018.10.023},
    url = {https://www.sciencedirect.com/science/article/abs/pii/S0927025618306955?via%3Dihub},
    accessDate = {Jan 25, 2024}
}

Article on Wiley: 10.1002/adts.202300538

@article{nguyen2024an,
    title = {An Enhanced Sampling Approach for Computing the Free Energy of Solid Surface and Solid–Liquid Interface},
    author = {Cao Thang Nguyen and Duc Tam Ho and Sung Youb Kim},
    year = {2024},
    month = {1},
    journal = {Advanced Theory and Simulations},
    publisher = {John Wiley & Sons, Ltd},
    volume = {7},
    number = {1},
    pages = {2300538},
    doi = {10.1002/adts.202300538},
    url = {https://onlinelibrary.wiley.com/doi/10.1002/adts.202300538},
    accessDate = {Jan 25, 2024}
}

Google Book New: America, the Vietnam War, and the World

@book{daum2003america,,
    title = {America, the Vietnam War, and the World},
    author = {Andreas W. Daum and Lloyd C. Gardner and Wilfried Mausbach},
    year = {2003},
    month = {7},
    publisher = {Cambridge University Press},
    isbn = {052100876X},
    url = {https://www.google.co.kr/books/edition/America_the_Vietnam_War_and_the_World/9kn6qYwsGs4C?hl=en&gbpv=0},
    accessDate = {Jan 25, 2024}
}

Google Book Classic: Currency Wars

@book{rickards2011currency,
    title = {Currency Wars},
    author = {James Rickards},
    year = {2011},
    month = {11},
    publisher = {Penguin},
    isbn = {110155889X},
    url = {https://books.google.co.kr/books?id=-GDwL2s5sJoC&source=gbs_book_other_versions},
    accessDate = {Jan 25, 2024}
}

Blog post: https://deci.ai/blog/decicoder-6b-the-best-multi-language-code-generation-llm-in-its-class/

@misc{deci2024introducing,
    title = {Introducing DeciCoder-6B: The Best Multi-Language Code LLM in Its Class},
    author = {Deci},
    year = {2024},
    month = {1},
    publisher = {Deci},
    url = {https://deci.ai/blog/decicoder-6b-the-best-multi-language-code-generation-llm-in-its-class/},
    accessDate = {Jan 25, 2024}
}

Packages on Zenodo: https://zenodo.org/records/7751762

@misc{kai2023forcefield,
    title = {Force-field files for "Noble gas (He, Ne and Ar) solubilities in high-pressure silicate melts calculated based on deep potential modeling"},
    author = {Wang, Kai and Lu, Xiancai and Liu, Xiandong and Yin, Kun},
    year = {2023},
    month = {3},
    publisher = {Zenodo},
    doi = {10.5281/zenodo.7751762},
    url = {https://zenodo.org/records/7751762},
    accessDate = {Jan 25, 2024}
}

Bibtex this page

@misc{nguyen2024bibtex,
    title = {BibTeX Generator},
    author = {Cao Thang Nguyen},
    year = {2024},
    month = {1},
    url = {https://thangckt.github.io/blog/2024/01/25/bibtex_generator},
    accessDate = {Jan 25, 2024}
}

In summary, the new extension 1click BibTeX works well for most websites with varying data structures.

November 30, 2022
in Science, ML
14 min read

Accelerated Molecular Simulation Using Deep Potential Workflow with NGC

Credit: NVIDIA's blog

Molecular simulation communities have faced the accuracy-versus-efficiency dilemma in modeling the potential energy surface and interatomic forces for decades. Deep Potential, the artificial neural network force field, solves this problem by combining the speed of classical molecular dynamics (MD) simulation with the accuracy of density functional theory (DFT) calculation.1 This is achieved by using the GPU-optimized package DeePMD-kit, which is a deep learning package for many-body potential energy representation and MD simulation.2

This post provides an end-to-end demonstration of training a neural network potential for the 2D material graphene and using it to drive MD simulation in the open-source platform Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS).3 Training data can be obtained either from the Vienna Ab initio Simulation Package (VASP)4, or Quantum ESPRESSO (QE).5

A seamless integration of molecular modeling, machine learning, and high-performance computing (HPC) is demonstrated with the combined efficiency of molecular dynamics with ab initio accuracy — that is entirely driven through a container-based workflow. Using AI techniques to fit the interatomic forces generated by DFT, the accessible time and size scales can be boosted several orders of magnitude with linear scaling.

Deep potential is essentially a combination of machine learning and physical principles, which start a new computing paradigm as shown in Figure 1.

The image shows the new computing paradigm that combines molecular modeling, machine learning and high-performance computing to understand the interatomic forces of molecules compared to the traditional methods.

Figure 1. A new computing paradigm composed of molecular modeling, AI, and HPC. (Figure courtesy: Dr. Linfeng Zhang, DP Technology)

The entire workflow is shown in Figure 2. The data generation step is done with VASP and QE. The data preparation, model training, testing, and compression steps are done using DeePMD-kit. The model deployment is in LAMMPS.

This figure displays the workflow of training and deploying a deep potential model. The workflow includes data generation, data preparation, model training, model testing, model compression, and model deployment.

Figure 2. Diagram of the DeePMD workflow.

Why Containers?

A container is a portable unit of software that combines the application, and all its dependencies, into a single package that is agnostic to the underlying host OS.

The workflow in this post involves AIMD, DP training, and LAMMPS MD simulation. It is nontrivial and time-consuming to install each software package from source with the correct setup of the compiler, MPI, GPU library, and optimization flags.

Containers solve this problem by providing a highly optimized GPU-enabled computing environment for each step, and eliminates the time to install and test software.

The NGC catalog, a hub of GPU-optimized HPC and AI software, carries a whole of HPC and AI containers that can be readily deployed on any GPU system. The HPC and AI containers from the NGC catalog are updated frequently and are tested for reliability and performance — necessary to speed up the time to solution.

These containers are also scanned for Common Vulnerabilities and Exposure (CVEs), ensuring that they are devoid of any open ports and malware. Additionally, the HPC containers support both Docker and Singularity runtimes, and can be deployed on multi-GPU and multinode systems running in the cloud or on-premises.

Training data generation

The first step in the simulation is data generation. We will show you how you can use VASP and Quantum ESPRESSO to run AIMD simulations and generate training datasets for DeePMD. All input files can be downloaded from the GitHub repository using the following command:

git clone https://github.com/deepmodeling/SC21_DP_Tutorial.git

VASP

A two-dimensional graphene system with 98-atoms is used as shown in Figure 3.6 To generate the training datasets, 0.5ps NVT AIMD simulation at 300 K is performed. The time step chosen is 0.5fs. The DP model is created using 1000 time steps from a 0.5ps MD trajectory at a fixed temperature.

Due to the short simulation time, the training dataset contains consecutive system snapshots, which are highly correlated. Generally, the training dataset should be sampled from uncorrelated snapshots with various system conditions and configurations. For this example, we used a simplified training data scheme. For production DP training, using DP-GEN is recommended to utilize the concurrent learning scheme to efficiently explore more combinations of conditions.7

The projector-augmented wave pseudopotentials are employed to describe the interactions between the valence electrons and frozen cores. The generalized gradient approximation exchange−correlation functional of Perdew−Burke−Ernzerhof. Only the Γ-point was used for k-space sampling in all systems.

This figure displays the top view of a single layer graphene system with 98 carbon atoms.

Figure 3. A graphene system composed of 98 carbon atoms is used in AIMD simulation.

Quantum Espresso

The AIMD simulation can also be carried out using Quantum ESPRESSO, available as a container from the NGC Catalog. Quantum ESPRESSO is an integrated suite of open-source computer codes for electronic-structure calculations and materials modeling at the nanoscale based on density-functional theory, plane waves, and pseudopotentials. The same graphene structure is used in the QE calculations. The following command can be used to start the AIMD simulation:

$ singularity exec --nv docker://nvcr.io/hpc/quantum_espresso:qe-6.8 cp.x
< c.md98.cp.in

Training data preparation

Once the training data is obtained from AIMD simulation, we want to convert its format using dpdata so that it can be used as input to the deep neural network. The dpdata package is a format conversion toolkit between AIMD, classical MD, and DeePMD-kit.

You can use the convenient tool dpdata to convert data directly from the output of first-principles packages to the DeePMD-kit format. For deep potential training, the following information of a physical system has to be provided: atom type, box boundary, coordinate, force, viral, and system energy.

A snapshot, or a frame of the system, contains all these data points for all atoms at one-time step, which can be stored in two formats, that is raw and npy.

The first format raw is plain text with all information in one file, and each line of the file represents a snapshot. Different system information is stored in different files named as box.raw, coord.raw, force.raw, energy.raw, and virial.raw. We recommended you follow these naming conventions when preparing the training files.

An example of force.raw:

$ cat force.raw
-0.724  2.039 -0.951  0.841 -0.464  0.363
 6.737  1.554 -5.587 -2.803  0.062  2.222
-1.968 -0.163  1.020 -0.225 -0.789  0.343

This force.raw contains three frames, with each frame having the forces of two atoms, resulting in three lines and six columns. Each line provides all three force components of two atoms in one frame. The first three numbers are the three force components of the first atom, while the next three numbers are the force components of the second atom.

The coordinate file coord.raw is organized similarly. In box.raw, the nine components of the box vectors should be provided on each line. In virial.raw, the nine components of the virial tensor should be provided on each line in the order XX XY XZ YX YY YZ ZX ZY ZZ. The number of lines of all raw files should be identical. We assume that the atom types do not change in all frames. It is provided by type.raw, which has one line with the types of atoms written one by one.

The atom types should be integers. For example, the type.raw of a system that has two atoms with zero and one:

$ cat type.raw
0 1

It is not a requirement to convert the data format to raw, but this process should give a sense on the types of data that can be used as inputs to DeePMD-kit for training.

The easiest way to convert the first-principles results to the training data is to save them as numpy binary data.

For VASP output, we have prepared an outcartodata.py script to process the VASP OUTCAR file. By running the commands:

$ cd SC21_DP_Tutorial/AIMD/VASP/
$ singularity exec --nv docker://nvcr.io/hpc/deepmd-kit:v2.0.3 python outcartodata.py
$ mv deepmd_data ../../DP/

For QE output:

$ cd SC21_DP_Tutorial/AIMD/QE/
$ singularity exec --nv docker://nvcr.io/hpc/deepmd-kit:v2.0.3 python logtodata.py
$ mv deepmd_data ../../DP/

A folder called deepmd_data is generated and moved to the training directory. It generates five sets 0/set.000, 1/set.000, 2/set.000, 3/set.000, 4/set.000, with each set containing 200 frames. It is not required to take care of the binary data files in each of the set.* directories. The path containing the set.* folder and type.raw file is called a system. If you want to train a nonperiodic system, an empty nopbc file should be placed under the system directory. box.raw is not necessary as it is a nonperiodic system.

We are going to use three of the five sets for training, one for validating, and the remaining one for testing.

Deep Potential model training

The input of the deep potential model is a descriptor vector containing the system information mentioned previously. The neural network contains several hidden layers with a composition of linear and nonlinear transformations. In this post, a three layer-neural network with 25, 50 and 100 neurons in each layer is used. The target value, or the label, for the neural network to learn is the atomic energies. The training process optimizes the weights and the bias vectors by minimizing the loss function.

The training is initiated by the command where input.json contains the training parameters:

$ singularity exec --nv docker://nvcr.io/hpc/deepmd-kit:v2.0.3 dp train input.json

The DeePMD-kit prints detailed information on the training and validation data sets. The data sets are determined by training_data and validation_data as defined in the training section of the input script. The training dataset is composed of three data systems, while the validation data set is composed of one data system. The number of atoms, batch size, number of batches in the system, and the probability of using the system are all shown in Figure 4. The last column presents if the periodic boundary condition is assumed for the system.

This image is a screenshot of the DP training output. Summaries of the training and validation dataset are shown with detailed information on the number of atoms, batch size, number of batches in the system and the probability of using the system.

Figure 4. Screenshot of the DP training output.

During the training, the error of the model is tested every disp_freq training step with the batch used to train the model and with numb_btch batches from the validating data. The training error and validation error are printed correspondingly in the file disp_file (default is lcurve.out). The batch size can be set in the input script by the key batch_size in the corresponding sections for training and validation data set.

An example of the output:

#  step      rmse_val    rmse_trn    rmse_e_val  rmse_e_trn    rmse_f_val  rmse_f_trn         lr
      0      3.33e+01    3.41e+01      1.03e+01    1.03e+01      8.39e-01    8.72e-01    1.0e-03
    100      2.57e+01    2.56e+01      1.87e+00    1.88e+00      8.03e-01    8.02e-01    1.0e-03
    200      2.45e+01    2.56e+01      2.26e-01    2.21e-01      7.73e-01    8.10e-01    1.0e-03
    300      1.62e+01    1.66e+01      5.01e-02    4.46e-02      5.11e-01    5.26e-01    1.0e-03
    400      1.36e+01    1.32e+01      1.07e-02    2.07e-03      4.29e-01    4.19e-01    1.0e-03
    500      1.07e+01    1.05e+01      2.45e-03    4.11e-03      3.38e-01    3.31e-01    1.0e-03

The training error reduces monotonically with training steps as shown in Figure 5. The trained model is tested on the test dataset and compared with the AIMD simulation results. The test command is:

$ singularity exec --nv docker://nvcr.io/hpc/deepmd-kit:v2.0.3 dp test -m frozen_model.pb -s deepmd_data/4/ -n 200 -d detail.out

This image shows the total training loss, energy loss, force loss and learning rate decay with training steps from 0 to 1,000,000. Both the training and validation loss decrease monotonically with training steps.

Figure 5. Training loss with steps

The results are shown in Figure 6.

This image displays the inferenced energy and force in the y-axis, and the ground true on the x-axis. The inferenced values soundly coincide with the ground truth with all data distributed in the diagonal direction.

Figure 6. Test of the prediction accuracy of trained DP model with AIMD energies and forces.

Model export and compression

After the model has been trained, a frozen model is generated for inference in MD simulation. The process of saving neural network from a checkpoint is called “freezing” a model:

$ singularity exec --nv docker://nvcr.io/hpc/deepmd-kit:v2.0.3 dp freeze -o graphene.pb

After the frozen model is generated, the model can be compressed without sacrificing its accuracy; while greatly speeding up the inference performance in MD. Depending on simulation and training setup, model compression can boost performance by 10X, and reduce memory consumption by 20X when running on GPUs.

The frozen model can be compressed using the following command where -i refers to the frozen model and -o points to the output name of the compressed model:

$ singularity exec --nv docker://nvcr.io/hpc/deepmd-kit:v2.0.3 dp compress -i graphene.pb -o graphene-compress.pb

Model deployment in LAMMPS

A new pair-style has been implemented in LAMMPS to deploy the trained neural network in prior steps. For users familiar with the LAMMPS workflow, only minimal changes are needed to switch to deep potential. For instance, a traditional LAMMPS input with Tersoff potential has the following setting for potential setup:

pair_style      tersoff
pair_coeff      * * BNC.tersoff C

To use deep potential, replace previous lines with:

pair_style      deepmd graphene-compress.pb
pair_coeff      * *

The pair_style command in the input file uses the DeePMD model to describe the atomic interactions in the graphene system.

The graphene-compress.pb file represents the frozen and compressed model for inference. The graphene system in MD simulation contains 1,560 atoms. Periodic boundary conditions are applied in the lateral x– and y-directions, and free boundary is applied to the z-direction. The time step is set as 1 fs. The system is placed under NVT ensemble at temperature 300 K for relaxation, which is consistent with the AIMD setup. The system configuration after NVT relaxation is shown in Figure 7. It can be observed that the deep potential can describe the atomic structures with small ripples in the cross-plane direction. After 10ps NVT relaxation, the system is placed under NVE ensemble to check system stability.

The image displays the side view of the single layer graphene system after thermal relaxation in LAMMPS.

Figure 7. Atomic configuration of the graphene system after relaxation with deep potential.

The system temperature is shown in Figure 8.

The image displays the temperature profiles of the graphene system under NVT and NVE ensembles from 0 to 20 picoseconds. The first 10 picosecond is NVT and the second 10 picosecond is NVE.

Figure 8. System temperature under NVT and NVE ensembles. The MD system driven by deep potential is very stable after relaxation.

To validate the accuracy of the trained DP model, the calculated radial distribution function (RDF) from AIMD, DP and Tersoff, are plotted in Figure 9. The DP model-generated RDF is very close to that of AIMD, which indicates that the crystalline structure of graphene can be well presented by the DP model.

This image displays the plotted radial distribution function from three different methods, including DP, Tersoff and AIMD, which are denoted in black, red and blue solid lines respectively.

Figure 9. Radial distribution function calculated by AIMD, DP and Tersoff potential, respectively. It can be observed that the RDF calculated by DP is very close to that of AIMD.

Conclusion

This post demonstrates a simple case study of graphene under given conditions. The DeePMD-kit package streamlines the workflow from AIMD to classical MD with deep potential, providing the following key advantages:

Highly automatic and efficient workflow implemented in the TensorFlow framework. APIs with popular DFT and MD packages such as VASP, QE, and LAMMPS. Broad applications in organic molecules, metals, semiconductors, insulators, and more. Highly efficient code for HPC with MPI and GPU support. Modularization for easy adoption by other deep learning potential models. Furthermore, the use of GPU-optimized containers from the NGC catalog simplifies and accelerates the overall workflow by eliminating the steps to install and configure software. To train a comprehensive model for other applications, download the DeepMD Kit Container from the NGC catalog.

References

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