De Novo Molecule Design on CrossDock (test)
-5.14Avg. Vina ScorePocket2Mol
Evaluation Results
| Method | Links | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pocket2Mol2025.07 | -5.14 | -4.7 | -6.42 | -5.82 | -7.15 | -6.79 | 102 | 189 | 374 | 57 | 76 | 1.51 | 4.88 | 74 | 37 | 43 | 56 | 96 | |
| DecompDiff2025.07 | -5.19 | -5.27 | -6.03 | -6 | -7.03 | -7.16 | 115 | 421 | 1,424 | 51 | 66 | 1.15 | 4.49 | 73 | 26 | 44 | 51 | 83 | |
| TargetDiff2025.07 | -5.47 | -6.3 | -6.64 | -6.83 | -7.8 | -7.91 | 369 | 1,243 | 13,871 | 48 | 58 | 1.36 | 4.51 | 72 | 26 | 48 | 53 | 90 | |
| AR2025.07 | -5.75 | -5.64 | -6.18 | -5.88 | -6.75 | -6.62 | 259 | 595 | 2,286 | 51 | 64 | 0.39 | 4.75 | 70 | 45 | 54 | 22 | 94 | |
| Reference2025.07 | -6.36 | -6.46 | -6.71 | -6.49 | -7.45 | -7.26 | 34 | 107 | 196 | 48 | 73 | 0.89 | 4.27 | — | — | — | 17 | — | |
| MolCRAFT2025.07 | -6.55 | -6.95 | -7.21 | -7.14 | -7.67 | -7.82 | 83 | 195 | 510 | 50 | 67 | 1.16 | 4.46 | 73 | 23 | 37 | 26 | 97 | |
| MolPIF2025.07 | -6.64 | -7.02 | -7.41 | -7.28 | -8.09 | -8.13 | 65 | 150 | 375 | 59 | 72 | 3.26 | 4.63 | 72 | 23 | 40 | 29 | 98 |