Drug Discovery
Benchmark List
All benchmarks related to this task
bbbp
Best model: ProtoW-L2
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bindingdb
Best model: AttentionSiteDTI
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bindingdb-ic50
Best model: DeepDTA
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clintox
Best model: BiLSTM
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egfr-inh
Best model: Multi-input Neural network with Attention
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hiv-dataset
Best model: GraphConv + dummy super node + focal loss
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kiba
Best model: SMT-DTA
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lit-pcba-kat2a
Best model: EGT+TGT-At-DP
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muv
Best model: TrimNet
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pcba
Best model: GraphConv + dummy super node
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pdbbind
Best model: Ensemble locally constant networks
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qed
Best model: HierG2G
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qm9
Best model: PAMNet
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sider
Best model: Ensemble locally constant networks
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tox21-1
Best model: elEmBERT-V1
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toxcast-scaffold
Best model: GLAM
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bace
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bace-scaffold
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bbbp-scaffold
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davis-dta
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drd2
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esol-scaffold
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freesolv-scaffold
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lipophilicity-scaffold
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lit-pcba-aldh1
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lit-pcba-esr1-ant
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lit-pcba-mapk1
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toxcast
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