Rotatable Bonds (RB) Prediction on PubChem 100K molecules (test)
0.99Pearson CorrelationChemprop
Evaluation results
| Method | Links | ||
|---|---|---|---|
| ChempropArchitecture=GNN2026.07 | 0.99 | 0.15 | |
| MolBasic2026.07 | 0.98 | 0.36 | |
| ChemMLLMParameters=34B2026.07 | 0.97 | 0.75 | |
| ChemMLLMParameters=7B2026.07 | 0.94 | 1.62 | |
| ChemceptionArchitecture=CNN2026.07 | 0.73 | 1.91 | |
| Qwen-VLParameters=7B2026.07 | 0.19 | 6.87 | |
| ChemVLMParameters=8B2026.07 | 0.1 | 5.56 | |
| InternVL-v1.5Parameters=20B2026.07 | 0.04 | 4.82 | |
| LLaVA-v1.5Parameters=7B2026.07 | 0.03 | 3.85 |