enerzyme.data.datahub.SingleDataHub

class enerzyme.data.datahub.SingleDataHub(dump_dir='.', data_format: str | None = None, data_path: str = '', preload: bool = True, features: Dict[str, str] = {}, targets: Dict[str, str] = {}, preprocessings: Dict[str, str | bool] | None = None, global_transforms: Dict[str, str | bool] | None = None, neighbor_list: str | None = None, hash_length: int = 16, compressed: bool = True, max_memory: int = 10, **params)

Bases: object

__init__(dump_dir='.', data_format: str | None = None, data_path: str = '', preload: bool = True, features: Dict[str, str] = {}, targets: Dict[str, str] = {}, preprocessings: Dict[str, str | bool] | None = None, global_transforms: Dict[str, str | bool] | None = None, neighbor_list: str | None = None, hash_length: int = 16, compressed: bool = True, max_memory: int = 10, **params)

property features: FieldDataset

get_handle(mode: Literal['r', 'w'] = 'r') → None

preload_data()

reset_handle()

property targets: FieldDataset