Datasets
5 datasets · showing 5
Chemistry ♡ Sign in
BBBP (Blood-Brain Barrier Penetration) dataset [[1]](1), part of MoleculeNet [[2]](2) benchmark.
Chemistry ♡ Sign in
HIV dataset [[1]](1), part of MoleculeNet [[2]](2) benchmark.
Chemistry ♡ Sign in
Tox21 dataset [[1]](1), part of MoleculeNet [[2]](2) benchmark.
Chemistry ♡ Sign in
Load and return the ClinTox dataset, part of MoleculeNet [[1]](1) benchmark.
Chemistry ♡ Sign in
ESOL (Estimated SOLubility) dataset [[1]](1), part of MoleculeNet [[2]](2) benchmark.