Molecular Docking on PoseBusters Benchmark Set
96PoseBusters Valid RateOMTRA
Evaluation results
| Method | Links | ||
|---|---|---|---|
| OMTRAN=52025.12 | 96 | 97 | |
| OMTRAN=12025.12 | 91 | 92 | |
| AF3Seq. Sim. (%)=[0, 30), Count=382025.11 | 87 | — | |
| SIGMADOCKSeq. Sim. (%)=[95, 100], Count=1232025.11 | 87 | — | |
| AlphaFold3N=12025.12 | 84 | 93 | |
| AF3Seq. Sim. (%)=[30, 95), Count=832025.11 | 82 | — | |
| GninaN=52025.12 | 81 | 82 | |
| AF3Seq. Sim. (%)=Total / Avg., Count=3082025.11 | 80.2 | — | |
| SIGMADOCKSeq. Sim. (%)=Total / Avg., Count=3082025.11 | 79.9 | — | |
| SurfDockN=52025.12 | 79 | 81 | |
| SIGMADOCKSeq. Sim. (%)=[30, 95), Count=762025.11 | 79 | — | |
| AF3Seq. Sim. (%)=[95, 100], Count=1872025.11 | 78 | — | |
| SIGMADOCKSeq. Sim. (%)=[0, 30), Count=1092025.11 | 72 | — | |
| GninaN=12025.12 | 64 | 65 | |
| VinaN=12025.12 | 58 | 60 | |
| SurfDockN=12025.12 | 40 | 78 |