GOOD.data.good_datasets.lbap_core
The GOOD-HIV dataset adapted from MoleculeNet.
Classes
|
|
|
The LBAPcore dataset. |
- class GOOD.data.good_datasets.lbap_core.DummyDataset(root: str, domain: str, shift: str = 'no_shift', subset: str = 'train', transform=None, pre_transform=None, generate: bool = False)[source]
Bases:
InMemoryDataset
- class GOOD.data.good_datasets.lbap_core.LBAPcore(root: str, domain: str, shift: str = 'no_shift', subset: str = 'train', transform=None, pre_transform=None, generate: bool = False)[source]
Bases:
InMemoryDataset
The LBAPcore dataset. Adapted from XXX.
- Parameters
root (str) – The dataset saving root.
domain (str) – The domain selection. Allowed: ‘scaffold’ and ‘size’.
shift (str) – The distributional shift we pick. Allowed: ‘no_shift’, ‘covariate’, and ‘concept’.
subset (str) – The split set. Allowed: ‘train’, ‘id_val’, ‘id_test’, ‘val’, and ‘test’. When shift=’no_shift’, ‘id_val’ and ‘id_test’ are not applicable.
generate (bool) – The flag for regenerating dataset. True: regenerate. False: download.
- static load(dataset_root: str, domain: str, shift: str = 'no_shift', generate: bool = False)[source]
A staticmethod for dataset loading. This method instantiates dataset class, constructing train, id_val, id_test, ood_val (val), and ood_test (test) splits. Besides, it collects several dataset meta information for further utilization.
- Parameters
- Returns
dataset or dataset splits. dataset meta info.
- property processed_file_names
The name of the files in the
self.processed_dir
folder that must be present in order to skip processing.