MoleculeNet

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MoleculeNet benchmark

load_moleculenet_benchmark	Load the MoleculeNet benchmark datasets.
load_ogb_splits	Load the MoleculeNet dataset splits from Open Graph Benchmark (OGB).

Dataset loaders

load_bace	Load the BACE dataset.
load_bbbp	Load the BBBP (Blood-Brain Barrier Penetration) dataset.
load_clintox	Load the ClinTox dataset.
load_esol	Load the ESOL (Estimated SOLubility) dataset.
load_freesolv	Load the FreeSolv (Free Solvation Database) dataset.
load_hiv	Load the HIV dataset.
load_lipophilicity	Load the Lipophilicity dataset.
load_muv	Load the MUV (Maximum Unbiased Validation) dataset.
load_pcba	Load the PCBA (PubChem BioAssay) dataset.
load_sider	Load the SIDER (Side Effect Resource) dataset.
load_tox21	Load the Tox21 dataset.
load_toxcast	Load the ToxCast dataset.