Molecule

GitHub source

class Molecule

W&B class for 3D Molecular data.

method Molecule.__init__

__init__(
    data_or_path: 'str | pathlib.Path | TextIO',
    caption: 'str | None' = 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.

---