Quantitative Solute-Solvent Interaction on CombiSolv (test)
0.172MAEMolTC
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MolTCBaseline Model Category=Proposed Method2024.02 | 0.172 | 0.465 | |
| CGIBBaseline Model Category=GNN Based2024.02 | 0.23 | 0.394 | |
| Uni-MolBaseline Model Category=ML Based2024.02 | 0.267 | 0.669 | |
| CIGINBaseline Model Category=GNN Based2024.02 | 0.288 | 0.664 | |
| GEMBaseline Model Category=GNN Based2024.02 | 0.29 | 0.783 | |
| GOVERBaseline Model Category=ML Based2024.02 | 0.412 | 0.728 | |
| SolvBertBaseline Model Category=ML Based2024.02 | 0.418 | 0.711 | |
| D-MPNNBaseline Model Category=GNN Based2024.02 | 0.482 | 0.895 | |
| MolCABaseline Model Category=LLM Based2024.02 | 0.648 | 1.125 | |
| MolT5Baseline Model Category=LLM Based2024.02 | 0.652 | 1.124 | |
| SMDBaseline Model Category=ML Based2024.02 | 0.657 | 1.023 | |
| GalacticaBaseline Model Category=LLM Based2024.02 | 0.831 | 1.486 | |
| Chem T5Baseline Model Category=LLM Based2024.02 | 0.882 | 1.297 |