Datasets

Functions for loading benchmark molecular datasets.

• Long Range Graph Benchmark (LRGB)
  • load_lrgb_mol_benchmark
  • load_lrgb_mol_splits
  • load_peptides_func
  • load_peptides_struct
• MoleculeNet
  • load_moleculenet_benchmark
  • load_ogb_splits
  • load_bace
  • load_bbbp
  • load_clintox
  • load_esol
  • load_freesolv
  • load_hiv
  • load_lipophilicity
  • load_muv
  • load_pcba
  • load_sider
  • load_tox21
  • load_toxcast
• TDC
  • load_tdc_benchmark
  • load_tdc_splits
  • ADME dataset loaders
  • HTS dataset loaders
  • Toxicity dataset loaders