Flexible Blind Self-Docking on PDBbind v2020 (test complexes recorded after 2019)
1.5Ligand RMSD (25th Pctl)DIFFDOCK
Evaluation Results
| Method | Links | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| DIFFDOCKNumber of poses=402023.10 | 1.5 | 3.5 | 7.4 | 7.4 | 36 | 61.7 | 0.5 | 1.2 | 3.3 | 5.4 | 62.9 | 80.2 | 82.83 | |
| DIFFDOCKNumber of poses=102023.10 | 1.6 | 3.8 | 7.9 | 7.4 | 32.4 | 59.7 | 0.6 | 1.4 | 3.6 | 5.2 | 60.7 | 79.8 | 20.81 | |
| FABind2023.10 | 1.7 | 3.1 | 6.7 | 6.4 | 33.1 | 64.2 | 0.7 | 1.3 | 3.6 | 4.7 | 60.3 | 80.2 | 0.12 | |
| E3BIND2023.10 | 2.1 | 3.8 | 7.8 | 7.2 | 23.4 | 60 | 0.8 | 1.5 | 4 | 5.1 | 60 | 78.8 | 0.44 | |
| DIFFDOCKNumber of poses=12023.10 | 2.4 | 4.9 | 8.9 | 8.3 | 20.4 | 51 | 0.7 | 1.8 | 4.5 | 5.8 | 54.1 | 76.8 | 2.72 | |
| QVINA-WCPU-exclusive=true2023.10 | 2.5 | 7.7 | 23.7 | 13.6 | 20.9 | 40.2 | 0.9 | 3.7 | 22.9 | 11.9 | 41 | 54.6 | 49 | |
| GLIDECPU-exclusive=true2023.10 | 2.6 | 9.3 | 28.1 | 16.2 | 21.8 | 33.6 | 0.8 | 5.6 | 26.9 | 14.4 | 36.1 | 48.7 | 1,405 | |
| TANKBIND2023.10 | 2.6 | 4.2 | 7.6 | 7.8 | 17.6 | 57.8 | 0.8 | 1.7 | 4.3 | 5.9 | 55 | 77.8 | 0.87 | |
| GNINACPU-exclusive=false2023.10 | 2.8 | 8.7 | 22.1 | 13.3 | 21.2 | 37.1 | 1 | 4.5 | 21.2 | 11.5 | 36 | 52 | 146 | |
| SMINACPU-exclusive=true2023.10 | 3.8 | 8.1 | 17.9 | 12.1 | 13.5 | 33.9 | 1.3 | 3.7 | 16.2 | 9.8 | 38 | 55.9 | 146 | |
| EQUIBIND2023.10 | 3.8 | 6.2 | 10.3 | 8.2 | 5.5 | 39.1 | 1.3 | 2.6 | 7.4 | 5.6 | 40 | 67.5 | 0.03 | |
| VINACPU-exclusive=true2023.10 | 5.7 | 10.7 | 21.4 | 14.7 | 5.5 | 21.2 | 1.9 | 6.2 | 20.1 | 12.1 | 26.5 | 47.1 | 205 |