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Regression on BindingDB

1.17RMSEReactEmbed
1.15761.24131.3251.4087Jan 30, 2025

Evaluation results

MethodLinks
ReactEmbedProtein Model=ProtBERT, Molecular Model=MolFormer2025.011.17
ReactEmbedProtein Model=ProtBERT, Molecular Model=MolFormer2025.011.17
Uni-MolArchitecture=Multimodal2025.011.2
ReactEmbedProtein Model=GearNet, Molecular Model=MolFormer2025.011.2
ReactEmbedProtein Model=ESM3, Molecular Model=MolFormer2025.011.21
DCGAT-DTIArchitecture=Multimodal2025.011.24
ReactEmbedProtein Model=ProtBERT, Molecular Model=MolCLR2025.011.24
ReactEmbedProtein Model=ESM3, Molecular Model=MolCLR2025.011.28
ReactEmbedProtein Model=GearNet, Molecular Model=MolCLR2025.011.28
MRHormerArchitecture=Multimodal2025.011.31
BaselineProtein Model=GearNet, Molecular Model=MolFormer2025.011.36
BaselineProtein Model=ProtBERT, Molecular Model=MolFormer2025.011.36
BaselineProtein Model=ESM3, Molecular Model=MolFormer2025.011.4
BaselineProtein Model=ProtBERT, Molecular Model=MolCLR2025.011.41
DrugCLIPArchitecture=Multimodal2025.011.45
BaselineProtein Model=GearNet, Molecular Model=MolCLR2025.011.45
BaselineProtein Model=ESM3, Molecular Model=MolCLR2025.011.48