Loader¶

class graph_pes.data.loader.GraphDataLoader(

dataset,

batch_size=1,

shuffle=False,

three_body_cutoff=None,

**kwargs,

)[source]¶

Bases: DataLoader

A helper class for merging AtomicGraph objects into a single batch, represented as another AtomicGraph containing disjoint subgraphs per structure (see to_batch()).

Parameters:

dataset (GraphDataset | Sequence[AtomicGraph]) – The dataset to load.
batch_size (int | None) – The batch size.
shuffle (bool) – Whether to shuffle the dataset.
**kwargs – Additional keyword arguments to pass to the underlying torch.utils.data.DataLoader.