Reaction prediction on RMechDB Core (test)
64.3Top-1 AccContrastive
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| ContrastiveVariant=RxnHypergraph2023.11 | 64.3 | 74.1 | 95.1 | 97.4 | 1.45 | |
| ContrastiveVariant=Atom Descriptor2023.11 | 62.9 | 73.8 | 94.2 | 96.5 | 0.08 | |
| Two-stepVariant=Best Combination2023.11 | 62.4 | 71.9 | 93.2 | 97.2 | 1.38 | |
| Text-basedVariant=Pretrained2023.11 | 58.2 | 64.3 | 84.2 | 91 | 1.3 | |
| Text-basedVariant=Fine-tuned2023.11 | 57.7 | 64 | 83.9 | 90.4 | 1.3 |