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Schema for Configuration Sevenn MLP¤

The schema to configure the input file for Sevenn MLP.

Schema:¤

### Schema for MLP Sevenn

### Reference
# https://github.com/MDIL-SNU/SevenNet/blob/main/example_inputs/training/input_full.yml
# https://sevennet.readthedocs.io/en/latest/index.html


### Only keys listed below are needed in CLFF workflow.

model:                      # Accept all parameters in `model` section of the upstream SevenNet.
  type: dict

train:                      # Accept all parameters in `train` section of the upstream SevenNet.
  type: dict

data:                       # Only below parameters are needed for CLFF.
  type: dict
  allow_unknown: True
  schema:
    shift:                  # One of 'per_atom_energy_mean*', 'elemwise_reference_energies', float
      type: [string, float]
    scale:                  # One of 'force_rms*', 'per_atom_energy_std', 'elemwise_force_rms', float
      type: [string, float] #