enerzyme.data.transform.Transform#

class enerzyme.data.transform.Transform(transform_args: Dict | None = None, preload_path: str | None = None, simulation_mode: bool = False)[source]#

Bases: object

__init__(transform_args: Dict | None = None, preload_path: str | None = None, simulation_mode: bool = False) → None[source]#

inverse_transform(raw_output: Dict, selected_indices: Iterable[int] | None = None)[source]#

transform(raw_input: Dict)[source]#