enerzyme.data.supplier.Supplier#

class enerzyme.data.supplier.Supplier(supplying_fields: List[str] = ['atom_type', 'Ra', 'Q', 'mol'])[source]#

Bases: ABC

__init__(supplying_fields: List[str] = ['atom_type', 'Ra', 'Q', 'mol'])[source]#

get_package(mol: Mol) → Dict[str, Any][source]#

name: str#

raw_data() → Dict[str, Any][source]#

abstractmethod suppl() → Iterator[Dict[str, Any]][source]#