Pocket-Conditioned De Novo Design on Crossdocked
97.7PB-ValidDataset
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| Dataset2025.12 | 97.7 | 21.3 | -7.1 | 100 | 97.7 | |
| OMTRASampling strategy=100 samples drawn per pocket2025.12 | 89.8 | 29.5 | -6.8 | 27 | 26 | |
| Pocket2MolSampling strategy=100 samples drawn per pocket2025.12 | 86.6 | 24 | -4.5 | 22 | 19 | |
| DrugFlowSampling strategy=100 samples drawn per pocket2025.12 | 73.4 | 72.5 | -5.9 | 21 | 17 | |
| TargetDiffSampling strategy=100 samples drawn per pocket2025.12 | 47.7 | 446 | -6.8 | 20 | 11 | |
| DiffSBDDSampling strategy=100 samples drawn per pocket2025.12 | 38.2 | 546 | -2.8 | 18 | 7 |