Molecule

class Molecule

W&B class for 3D Molecular data.

method Molecule.__init__

__init__(
    data_or_path: Union[str, pathlib.Path, ForwardRef('TextIO')],
    caption: Optional[str] = None,
    **kwargs: str
) → None

Initialize a Molecule object.

Args:

• data_or_path: Molecule can be initialized from a file name or an io object.
• caption: Caption associated with the molecule for display.

---