Reaction Prediction on RMechDB Atmospheric (test)
62.1Top-1 AccContrastive
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| ContrastiveVariant=RxnHypergraph2023.11 | 62.1 | 74.8 | 94.1 | 95.9 | 1.45 | |
| ContrastiveVariant=Atom Descriptor2023.11 | 61 | 73.6 | 93 | 94.4 | 0.08 | |
| Two-stepVariant=Best Combination2023.11 | 60.4 | 70.9 | 91.6 | 96.3 | 1.38 | |
| Text-basedVariant=Pretrained2023.11 | 58 | 67.3 | 82.6 | 91 | 1.3 | |
| Text-basedVariant=Fine-tuned2023.11 | 57.1 | 66.8 | 82.2 | 90.3 | 1.3 |