enerzyme.data.supplier.SDFSupplier#

class enerzyme.data.supplier.SDFSupplier(sdf_file: str, start: int = 0, end: int = -1, supplying_fields: List[str] = ['atom_type', 'Ra', 'Q', 'mol'], **kwargs)[source]#

Bases: Supplier

__init__(sdf_file: str, start: int = 0, end: int = -1, supplying_fields: List[str] = ['atom_type', 'Ra', 'Q', 'mol'], **kwargs)[source]#
suppl()[source]#