enerzyme.models.ff.FFDataset

class enerzyme.models.ff.FFDataset(features: Dict[str, FieldDataset], targets: Dict[str, FieldDataset], indices: OrderedDict[str, Iterable[int]] | List[int] | None = None, data_in_memory: bool = True, bisect_search: bool = False)

Bases: Dataset

__init__(features: Dict[str, FieldDataset], targets: Dict[str, FieldDataset], indices: OrderedDict[str, Iterable[int]] | List[int] | None = None, data_in_memory: bool = True, bisect_search: bool = False) → None

expand_with_indices(new_raw_indices: Dict[str, Iterable[int]]) → None