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torchdrug.datasets
Knowledge Graph Datasets
FB15k
FB15k237
WN18
WN18RR
Hetionet
Molecule Property Prediction Datasets
BACE
BBBP
CEP
ChEMBLFiltered
ClinTox
Delaney
FreeSolv
HIV
Lipophilicity
MUV
Malaria
OPV
QM8
QM9
SIDER
Tox21
ToxCast
ZINC250k
ZINC2m
MOSES
PCQM4M
Protein Property Prediction Datasets
BetaLactamase
Fluorescence
Stability
Solubility
BinaryLocalization
SubcellularLocalization
EnzymeCommission
GeneOntology
AlphaFoldDB
Protein Structure Prediction Datasets
Fold
SecondaryStructure
ProteinNet
Protein-Protein Prediction Datasets
HumanPPI
YeastPPI
PPIAffinity
Protein Ligand Prediction Datasets
BindingDB
PDBBind
Retrosynthesis Datasets
USPTO50k
Citation Network Datasets
Cora
CiteSeer
PubMed
Datasets
Models
