Molecular Property Prediction on HIV MoleculeNet
77.88ROC-AUCGraphformer
Evaluation Results
| Method | Links | |
|---|---|---|
| GraphformerBase Model=GNNs2026.03 | 77.88 | |
| MolEvolveBase Model=GPT-4o2026.03 | 76.82 | |
| MolEvolveBase Model=Qwen2.5-7B-Instruct2026.03 | 75.81 | |
| GINBase Model=GNNs2026.03 | 74.5 | |
| MolEvolveBase Model=GPT-4o-mini2026.03 | 72.81 | |
| XGBoostBase Model=Tree-based model2026.03 | 70.2 | |
| MolRAGBase Model=GPT-4o-mini2026.03 | 68.23 | |
| AutomolcoBase Model=GPT-4o2026.03 | 67.5 | |
| AutomolcoBase Model=GPT-4o-mini2026.03 | 65.83 | |
| Logistic Regression (LR)Base Model=Linear model2026.03 | 65.71 | |
| MolRAGBase Model=Qwen2.5-7B-Instruct2026.03 | 64.76 | |
| AutomolcoBase Model=Qwen2.5-7B-Instruct2026.03 | 62.65 | |
| MolRAGBase Model=GPT-4o2026.03 | 62.09 | |
| Decision TreeBase Model=Tree-based model2026.03 | 55.66 |