Structure-conditioned molecular generation on CrossDocked 2020 (test)
-9.25Vina Dock ScoreMolCRAFT
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| MolCRAFT2026.04 | -9.25 | 59.1 | 0.46 | 0.62 | 0.61 | 36.1 | |
| DecompOpt2026.04 | -8.98 | 73.5 | 0.48 | 0.65 | 0.6 | 52.5 | |
| MOLCHORD2026.04 | -8.59 | 74.6 | 0.56 | 0.78 | 0.71 | 53.4 | |
| CAGenMol2026.04 | -8.41 | 82.3 | 0.7 | 0.89 | 0.75 | 69.7 | |
| DecompDiff2026.04 | -8.39 | 64.4 | 0.45 | 0.61 | 0.68 | 24.5 | |
| RGA + Vina2026.04 | -8.01 | 64.4 | 0.57 | 0.71 | 0.41 | 46.2 | |
| TargetDiff2026.04 | -7.8 | 58.1 | 0.48 | 0.58 | 0.72 | 10.5 | |
| Reference Set2026.04 | -7.45 | — | 0.48 | 0.73 | — | 25 | |
| Pocket2Mol2026.04 | -7.15 | 48.4 | 0.56 | 0.74 | 0.69 | 24.4 | |
| FLAG2026.04 | -5.63 | — | 0.49 | 0.7 | 0.7 | 14.1 |