mattertune.data.xyz

Classes

`XYZDataset`(config)
`XYZDatasetConfig`(*[, type])

class mattertune.data.xyz.XYZDatasetConfig(*, type='xyz', src)[source]

Parameters:

type (Literal['xyz'])
src (str | Path)

type: Literal['xyz']: Discriminator for the XYZ dataset.

src: str | Path: The path to the XYZ dataset.

create_dataset()[source]

class mattertune.data.xyz.XYZDataset(config)[source]

Parameters:: config (XYZDatasetConfig)

__init__(config)[source]

Parameters:: config (XYZDatasetConfig)