Regression on FreeSolv
0.825RMSEDMMRL
Evaluation results
| Method | Links | |
|---|---|---|
| DMMRL2026.03 | 0.825 | |
| MvMRL2026.03 | 0.832 | |
| SGGRL2026.03 | 0.847 | |
| GraSeq2026.03 | 0.865 | |
| FP-GNN2026.03 | 0.905 | |
| ChemATPBackbone=DeepSeek-V3.22025.12 | 1.0177 | |
| Transformer2026.03 | 1.021 | |
| RNN2026.03 | 1.108 | |
| Weave2026.03 | 1.22 | |
| TokenMol2025.12 | 1.225 | |
| GraSPNet2026.02 | 1.232 | |
| MPNN2026.03 | 1.242 | |
| MoleculeSTM2025.12 | 1.288 | |
| GCN2026.03 | 1.4 | |
| TrimNet2026.03 | 1.639 | |
| SimSGT2026.02 | 1.953 | |
| GROVER2026.03 | 1.987 | |
| DABackbone=DeepSeek-V3.2, Few-Shot=false2025.12 | 2.4534 | |
| N-Gram2026.03 | 2.512 | |
| GraphFP2026.02 | 2.528 | |
| DA+FSBackbone=DeepSeek-V3.2, Few-Shot=true2025.12 | 2.551 | |
| LLM4SD2025.12 | 2.62 | |
| GROVE2026.02 | 2.712 | |
| ReactEmbedProtein Model=ESM3, Molecular Model=MolFormer2025.01 | 2.85 | |
| ReactEmbedProtein Model=GearNet, Molecular Model=MolFormer2025.01 | 2.91 | |
| ReactEmbedProtein Model=ProtBERT, Molecular Model=MolFormer2025.01 | 2.92 | |
| MGSSL2026.02 | 2.94 | |
| Infomax2026.02 | 3.033 | |
| BaselineProtein Model=ESM3, Molecular Model=MolFormer2025.01 | 3.12 | |
| BaselineProtein Model=GearNet, Molecular Model=MolFormer2025.01 | 3.12 | |
| BaselineProtein Model=ProtBERT, Molecular Model=MolFormer2025.01 | 3.12 | |
| GraphCL2026.02 | 3.166 | |
| EdgePred2026.02 | 3.192 | |
| ContextPred2026.02 | 3.195 | |
| JOAO2026.02 | 3.282 | |
| CoT+FSBackbone=DeepSeek-V3.2, Few-Shot=true2025.12 | 3.2863 | |
| CoTBackbone=DeepSeek-V3.2, Few-Shot=false2025.12 | 3.4312 | |
| AttrMasking2026.02 | 4.023 | |
| ReactEmbedProtein Model=GearNet, Molecular Model=MolCLR2025.01 | 4.21 | |
| ReactEmbedProtein Model=ProtBERT, Molecular Model=MolCLR2025.01 | 4.21 | |
| BaselineProtein Model=ESM3, Molecular Model=MolCLR2025.01 | 4.26 | |
| BaselineProtein Model=GearNet, Molecular Model=MolCLR2025.01 | 4.26 | |
| BaselineProtein Model=ProtBERT, Molecular Model=MolCLR2025.01 | 4.26 | |
| ReactEmbedProtein Model=ESM3, Molecular Model=MolCLR2025.01 | 4.29 | |
| MolRAG2025.12 | 6.0827 |