Regression on MoleculeNet Lipophilicity
0.6RMSEUni-Mol
Evaluation results
| Method | Links | |
|---|---|---|
| Uni-Mol2025.06 | 0.6 | |
| TRIDENTvariant=M-M2025.06 | 0.6 | |
| MolFormer2025.06 | 0.63 | |
| MolT52025.06 | 0.65 | |
| MolXPT2025.06 | 0.69 | |
| BioT52025.06 | 0.74 | |
| BioT5+2025.06 | 0.74 | |
| MolEvolveBase Model=GPT-4o-mini2026.03 | 0.8055 | |
| MolEvolveBase Model=GPT-4o2026.03 | 0.8188 | |
| MolEvolveBase Model=Qwen2.5-7B-Instruct2026.03 | 0.8527 | |
| XGBoostBase Model=Tree-based model2026.03 | 0.9833 | |
| AutomolcoBase Model=GPT-4o2026.03 | 1.0591 | |
| AutomolcoBase Model=GPT-4o-mini2026.03 | 1.063 | |
| Logistic Regression (LR)Base Model=Linear model2026.03 | 1.0651 | |
| AutomolcoBase Model=Qwen2.5-7B-Instruct2026.03 | 1.0854 | |
| Decision TreeBase Model=Tree-based model2026.03 | 1.1135 | |
| GraphformerBase Model=GNNs2026.03 | 1.2367 | |
| MolRAGBase Model=GPT-4o2026.03 | 1.2967 | |
| GINBase Model=GNNs2026.03 | 1.5481 | |
| MolRAGBase Model=GPT-4o-mini2026.03 | 1.78 | |
| MolRAGBase Model=Qwen2.5-7B-Instruct2026.03 | 2.5412 |