Blind Docking on PDBBind Holo crystal proteins (test)
0.382Top-1 RMSD < 2Å (%)DIFFDOCK
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| DIFFDOCKposes_sampled=40, pocket_prediction=internal2022.10 | 0.382 | 3.3 | 0.447 | 2.4 | 40 | |
| DIFFDOCKposes_sampled=10, pocket_prediction=internal2022.10 | 0.35 | 3.6 | 0.407 | 2.65 | 10 | |
| P2RANK+GNINApocket_prediction=P2Rank, hardware=not specified2022.10 | 0.288 | 5.5 | 0.383 | 3.4 | 127 | |
| EQUIBIND+GNINApocket_prediction=EquiBind, hardware=not specified2022.10 | 0.288 | 4.9 | 0.391 | 3.1 | 127 | |
| EQUIBIND+SMINApocket_prediction=EquiBind, hardware=CPU-only2022.10 | 0.232 | 6.5 | 0.386 | 3.4 | 126 | |
| GNINApocket_prediction=none, hardware=not specified2022.10 | 0.229 | 7.7 | 0.329 | 4.5 | 127 | |
| GLIDEpocket_prediction=none, hardware=CPU-only2022.10 | 0.218 | 9.3 | — | — | 1,405 | |
| TANKBINDpocket_prediction=internal, hardware=not specified2022.10 | 0.204 | 4 | 0.245 | 3.4 | — | |
| P2RANK+SMINApocket_prediction=P2Rank, hardware=CPU-only2022.10 | 0.204 | 6.9 | 0.332 | 4.4 | 126 | |
| SMINApocket_prediction=none, hardware=CPU-only2022.10 | 0.187 | 7.1 | 0.293 | 4.6 | 126 | |
| EQUIBINDpocket_prediction=none, hardware=not specified2022.10 | 0.055 | 6.2 | — | — | 0.04 |