Blind Docking on PDBBind Apo ESMFold proteins generated (test)
24.9Top-1 RMSD < 2Å AccFABIND
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| FABINDSoftware Type=Deep learning based docking method2023.10 | 24.9 | 4.2 | — | — | — | |
| DIFFDOCKposes_sampled=10, pocket_prediction=internal2022.10 | 21.7 | 5 | 31.9 | 3.3 | 10 | |
| DIFFDOCKNumber of samples=10, Software Type=Deep learning based docking method2023.10 | 21.7 | 5 | — | — | — | |
| DIFFDOCKposes_sampled=40, pocket_prediction=internal2022.10 | 20.3 | 5.1 | 31.3 | 3.3 | 40 | |
| DIFFDOCKNumber of samples=40, Software Type=Deep learning based docking method2023.10 | 20.3 | 5.1 | — | — | — | |
| TANKBINDpocket_prediction=internal2022.10 | 10.4 | 5.4 | 14.7 | 4.3 | — | |
| TANKBINDSoftware Type=Deep learning based docking method2023.10 | 10.4 | 5.4 | — | — | — | |
| EQUIBIND+GNINApocket_prediction=EquiBind2022.10 | 10.2 | 8.8 | 18.6 | 5.6 | 127 | |
| EQUIBIND+GNINASoftware Type=Deep learning based docking method2023.10 | 10.2 | 8.8 | — | — | — | |
| P2RANK+GNINApocket_prediction=P2Rank2022.10 | 8.6 | 11.2 | 12.8 | 7.2 | 127 | |
| P2RANK+GNINASoftware Type=Deep learning based docking method2023.10 | 8.6 | 11.2 | — | — | — | |
| P2RANK+SMINApocket_prediction=P2Rank, hardware=CPU-only2022.10 | 4.6 | 10 | 10.3 | 7 | 126 | |
| P2RANK+SMINASoftware Type=Deep learning based docking method2023.10 | 4.6 | 10 | — | — | — | |
| EQUIBIND+SMINApocket_prediction=EquiBind, hardware=CPU-only2022.10 | 4.3 | 8.3 | 11.7 | 5.8 | 126 | |
| EQUIBIND+SMINASoftware Type=Deep learning based docking method2023.10 | 4.3 | 8.3 | — | — | — | |
| SMINApocket_prediction=none, hardware=CPU-only2022.10 | 3.4 | 15.4 | 6.9 | 10 | 126 | |
| SMINASoftware Type=Traditional docking software2023.10 | 3.4 | 15.4 | — | — | — | |
| GNINApocket_prediction=none2022.10 | 2 | 22.3 | 4 | 14.22 | 127 | |
| GNINASoftware Type=Traditional docking software2023.10 | 2 | 22.3 | — | — | — | |
| EQUIBINDpocket_prediction=none2022.10 | 1.7 | 7.1 | — | — | 0.04 | |
| EQUIBINDSoftware Type=Deep learning based docking method2023.10 | 1.7 | 7.1 | — | — | — |