enerzyme.data.transform.NegativeGradientTransform#

class enerzyme.data.transform.NegativeGradientTransform(*args, **kwargs)[source]#

Bases: BaseTransform

__init__(*args, **kwargs)[source]#

single_inverse_transform(new_output: Dict[str, Iterable], idx: int) → None[source]#

transform(new_input)[source]#