enerzyme.models.ff.BaseFFLauncher

class enerzyme.models.ff.BaseFFLauncher(datahub: DataHub, trainer: Trainer, model_str: str, loss: Dict, architecture: str, build_params: Dict | None = None, layers: List[Dict] | None = None, pretrain_path: str | None = None)

Bases: ABC

__init__(datahub: DataHub, trainer: Trainer, model_str: str, loss: Dict, architecture: str, build_params: Dict | None = None, layers: List[Dict] | None = None, pretrain_path: str | None = None) → None

active_learn() → None

count_parameters() → int

dump(data: Any, dump_dir: str, name: str) → None

evaluate() → Dict[Literal['y_pred', 'y_truth', 'metric_score'], Any]

train() → None