| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| ZINC250K | UDLM + DCD | Uniqueness942.2 | 68 | 4d ago | |
| QM9 | TABASCO-hot | Validity100 | 30 | 4d ago | |
| jak2 | SoftMol | Top-Hit 5% Docking Score (kcal/mol)-12.807 | 27 | 4d ago | |
| 5ht1b | SoftMol | Docking Score (Top-Hit 5%, kcal/mol)-13.903 | 27 | 4d ago | |
| fa7 | SoftMol | Top-Hit 5% Docking Score (kcal/mol)-11.235 | 27 | 4d ago | |
| parp1 | SoftMol | Top-Hit 5% Docking Score (kcal/mol)-14.168 | 27 | 4d ago | |
| braf | SoftMol | Top-Hit 5% Docking Score (kcal/mol)-13.43 | 26 | 4d ago | |
| ZINC250K | CSMC | QED0.922 | 25 | 4d ago | |
| QM9 | CSMC | QED61.9 | 25 | 4d ago | |
| QM9 (test) | CatFlow | Validity99.81 | 17 | 4d ago | |
| QM9 | CatFlow | Validity99.8 | 15 | 4d ago | |
| ZINC | CatFlow | Validity99.2 | 14 | 4d ago | |
| jak2 | SoftMol | # Circles330 | 12 | 4d ago | |
| braf | SoftMol | #Circles291.7 | 12 | 4d ago | |
| 5ht1b | RationaleRL | # Circles312.7 | 12 | 4d ago | |
| fa7 | SoftMol | #Circles254.3 | 12 | 4d ago | |
| parp1 | SoftMol | Number of Circles215 | 12 | 4d ago | |
| ZINC 250K (train/test) | GCPN | Uniqueness0.9997 | 12 | 4d ago | |
| ZINC250k (test) | JT-VAE | Validity100 | 12 | 4d ago | |
| JAK2 | MOOD | Novel Hit Ratio920 | 10 | 4d ago | |
| BRAF | ChemBFN | Novel Hit Ratio534 | 10 | 4d ago | |
| 5HT1B | MOOD | Novel Hit Ratio18.673 | 10 | 4d ago | |
| FA7 | ChemBFN | Novel Hit Ratio585.3 | 10 | 4d ago | |
| PARP1 | MOOD | Novel Hit Ratio701.7 | 10 | 4d ago | |
| GuacaMol (test) | PrexSyn | Amlo (AUC-Top10)0.781 | 10 | 4d ago |
