Datasets#
Functions for loading benchmark molecular datasets.
- ASAP Discovery-OpenADMET challenge
- Biogen ADME benchmark
- ExpansionRx-OpenADMET challenge
- Long Range Graph Benchmark (LRGB)
- MoleculeACE
- load_moleculeace_benchmark
- load_moleculeace_dataset
- load_moleculeace_splits
- load_chembl204_ki
- load_chembl214_ki
- load_chembl218_ec50
- load_chembl219_ki
- load_chembl228_ki
- load_chembl231_ki
- load_chembl233_ki
- load_chembl234_ki
- load_chembl235_ec50
- load_chembl236_ki
- load_chembl237_ec50
- load_chembl237_ki
- load_chembl238_ki
- load_chembl239_ec50
- load_chembl244_ki
- load_chembl262_ki
- load_chembl264_ki
- load_chembl287_ki
- load_chembl1862_ki
- load_chembl1871_ki
- load_chembl2034_ki
- load_chembl2047_ec50
- load_chembl2147_ki
- load_chembl2835_ki
- load_chembl2971_ki
- load_chembl3979_ec50
- load_chembl4005_ki
- load_chembl4203_ki
- load_chembl4616_ec50
- load_chembl4792_ki
- MoleculeNet
- TDC