PlinderDataset

class plinder.core.loader.PlinderDataset(split: str, filters: ~typing.List[~typing.List[~plinder.core.scores.query.FILTER]] | ~typing.List[~plinder.core.scores.query.FILTER] | None = None, use_alternate_structures: bool = True, featurizer: ~typing.Callable[[~plinder.core.structure.structure.Structure], ~torch.Tensor | dict[str, ~torch.Tensor]] = <function structure_featurizer>, **kwargs: ~typing.Any)

Bases: Dataset

Creates a dataset from plinder systems

Parameters:

splitstr

the split to sample from

filters: FILTERS, default=None

Index filter to select specific system ids

use_alternate_structures: bool, default=True

Whether to load alternate structures

featurizer: Callable[

[Structure, int], dict[str, torch.Tensor]

] = structure_featurizer,

Transformation to turn structure to input tensors