Molecule - Weights & Biases Documentation

Class wandb.Molecule

W&B class for 3D Molecular data.

data_or_path: 'str | pathlib.Path | TextIO',
caption: 'str | None' = None, **kwargs: 'str'

Args

str | pathlib.Path | TextIO

Molecule can be initialized from a file name or an io object.

str | None

Caption associated with the molecule for display.

str