torch_geometric.datasets.GitMolDataset

class GitMolDataset(root: str, transform: Optional[Callable] = None, pre_transform: Optional[Callable] = None, pre_filter: Optional[Callable] = None, force_reload: bool = False, split: int = 0)[source]

Bases: InMemoryDataset

The dataset from the “GIT-Mol: A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text” paper.

Parameters:

  • root (str) – Root directory where the dataset should be saved.

  • transform (callable, optional) – A function/transform that takes in an torch_geometric.data.Data object and returns a transformed version. The data object will be transformed before every access. (default: None)

  • pre_transform (callable, optional) – A function/transform that takes in an torch_geometric.data.Data object and returns a transformed version. The data object will be transformed before being saved to disk. (default: None)

  • pre_filter (callable, optional) – A function that takes in an torch_geometric.data.Data object and returns a boolean value, indicating whether the data object should be included in the final dataset. (default: None)

  • force_reload (bool, optional) – Whether to re-process the dataset. (default: False)

  • split (int, optional) – Datasets split, train/valid/test=0/1/2. (default: 0)