Quantitative Solute-Solvent Interaction on CompSol (test)
0.171MAEMolTC
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MolTCBaseline Model Category=Proposed Method2024.02 | 0.171 | 0.295 | |
| CGIBBaseline Model Category=GNN Based2024.02 | 0.178 | 0.301 | |
| GOVERBaseline Model Category=ML Based2024.02 | 0.184 | 0.371 | |
| SolvBertBaseline Model Category=ML Based2024.02 | 0.192 | 0.353 | |
| CIGINBaseline Model Category=GNN Based2024.02 | 0.197 | 0.349 | |
| Uni-MolBaseline Model Category=ML Based2024.02 | 0.198 | 0.344 | |
| SMDBaseline Model Category=ML Based2024.02 | 0.199 | 0.348 | |
| GEMBaseline Model Category=GNN Based2024.02 | 0.203 | 0.337 | |
| D-MPNNBaseline Model Category=GNN Based2024.02 | 0.205 | 0.373 | |
| Chem T5Baseline Model Category=LLM Based2024.02 | 0.445 | 0.734 | |
| MolCABaseline Model Category=LLM Based2024.02 | 0.467 | 0.716 | |
| MolT5Baseline Model Category=LLM Based2024.02 | 0.476 | 0.695 | |
| GalacticaBaseline Model Category=LLM Based2024.02 | 0.594 | 0.854 |