Quantitative Solute-Solvent Interaction on FreeSolv (test)
0.684RMSEMolTC
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MolTCBaseline Model Category=Proposed Method2024.02 | 0.684 | 0.502 | |
| CGIBBaseline Model Category=GNN Based2024.02 | 0.917 | 0.541 | |
| CIGINBaseline Model Category=GNN Based2024.02 | 0.931 | 0.588 | |
| Uni-MolBaseline Model Category=ML Based2024.02 | 1.012 | 0.575 | |
| SolvBertBaseline Model Category=ML Based2024.02 | 1.034 | 0.602 | |
| GOVERBaseline Model Category=ML Based2024.02 | 1.074 | 0.636 | |
| MolT5Baseline Model Category=LLM Based2024.02 | 1.135 | 0.705 | |
| GEMBaseline Model Category=GNN Based2024.02 | 1.188 | 0.598 | |
| SMDBaseline Model Category=ML Based2024.02 | 1.202 | 0.599 | |
| D-MPNNBaseline Model Category=GNN Based2024.02 | 1.231 | 0.702 | |
| MolCABaseline Model Category=LLM Based2024.02 | 1.271 | 0.76 | |
| Chem T5Baseline Model Category=LLM Based2024.02 | 1.377 | 0.802 | |
| GalacticaBaseline Model Category=LLM Based2024.02 | 1.438 | 0.882 | |
| S-CGIBDomain Adaptation=true2024.12 | 1.648 | — | |
| S-CGIBDomain Adaptation=false2024.12 | 1.832 | — | |
| MICRO-Graph2024.12 | 1.865 | — | |
| SimSGT2024.12 | 1.953 | — | |
| MoAMa2024.12 | 2.072 | — | |
| GraphLoG2024.12 | 2.335 | — | |
| GraphFP2024.12 | 2.528 | — | |
| GROVE2024.12 | 2.712 | — | |
| MGSSL2024.12 | 2.94 | — | |
| Infomax2024.12 | 3.033 | — | |
| GraphCL2024.12 | 3.166 | — | |
| EdgePred2024.12 | 3.192 | — | |
| ContextPred2024.12 | 3.195 | — | |
| JOAO2024.12 | 3.282 | — | |
| JOAOv22024.12 | 3.842 | — | |
| AttrMasking2024.12 | 4.023 | — |