> ## Documentation Index
> Fetch the complete documentation index at: https://docs.wandb.ai/llms.txt
> Use this file to discover all available pages before exploring further.
# Molecule
export const GitHubLink = ({url}) =>
GitHub source
;
## class `Molecule`
W\&B class for 3D Molecular data.
### method `Molecule.__init__`
```python theme={null}
__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.
***