Molecular Property Prediction on MoleculeNet ESOL
0.6869RMSEMolEvolve
Evaluation Results
| Method | Links | |
|---|---|---|
| MolEvolveBase Model=GPT-4o2026.03 | 0.6869 | |
| MolEvolveBase Model=Qwen2.5-7B-Instruct2026.03 | 0.689 | |
| MolEvolveBase Model=GPT-4o-mini2026.03 | 0.6914 | |
| Decision TreeBase Model=Tree-based model2026.03 | 0.8287 | |
| AutomolcoBase Model=GPT-4o2026.03 | 0.8538 | |
| GraphformerBase Model=GNNs2026.03 | 0.926 | |
| XGBoostBase Model=Tree-based model2026.03 | 0.9364 | |
| Logistic Regression (LR)Base Model=Linear model2026.03 | 0.997 | |
| AutomolcoBase Model=GPT-4o-mini2026.03 | 1.0062 | |
| AutomolcoBase Model=Qwen2.5-7B-Instruct2026.03 | 1.0566 | |
| GINBase Model=GNNs2026.03 | 1.2182 | |
| MolRAGBase Model=GPT-4o-mini2026.03 | 1.2355 | |
| MolRAGBase Model=GPT-4o2026.03 | 1.4237 | |
| MolRAGBase Model=Qwen2.5-7B-Instruct2026.03 | 1.716 | |
| ATTRILENS-MOLBase Model=Qwen2.5-7B-Instruct2026.03 | 1.842 |