Pocket-based Molecular Generation on Additional Docking Benchmark (1IEP, 3EML, 3NY8, 4RLU, 4UNN, 5MO4, 7L11)
-13.23Score (1IEP)AutoGrow4
Evaluation Results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| AutoGrow42026.04 | -13.23 | -13.03 | -11.7 | -11.2 | -11.14 | -10.38 | -8.84 | -11.36 | |
| CAGenMolRefinement=EFO2026.04 | -12.83 | -12.76 | -12.31 | -12.49 | -11.88 | -11.08 | -9.07 | -11.77 | |
| PocketFlow2026.04 | -12.49 | -9.25 | -8.56 | -9.65 | -7.9 | -7.8 | -8.35 | -9.14 | |
| CAGenMol2026.04 | -12.33 | -12.26 | -11.9 | -12.4 | -11.85 | -10.86 | -8.97 | -11.51 | |
| ResGen2026.04 | -10.97 | -9.25 | -10.96 | -11.75 | -9.41 | -10.34 | -8.74 | -10.2 | |
| MIMOSA2026.04 | -10.96 | -10.69 | -10.51 | -10.81 | -9.66 | -10.02 | -8.33 | -10.14 | |
| DST2026.04 | -10.95 | -10.67 | -10.54 | -10.88 | -9.71 | -10.03 | -8.33 | -10.16 | |
| Pasithea2026.04 | -10.86 | -10.31 | -10.69 | -10.92 | -9.69 | -9.77 | -8.06 | -10.04 | |
| SCREENING2026.04 | -10.86 | -10.9 | -10.73 | -10.86 | -9.8 | -9.91 | -8.15 | -10.17 | |
| SMILES LSTM HC2026.04 | -10.38 | -10.3 | -10.19 | -10.49 | -9.36 | -9.71 | -7.9 | -9.76 | |
| Pocket2Mol2026.04 | -10.17 | -12.25 | -11.89 | -10.57 | -12.2 | -10.07 | -9.74 | -10.98 | |
| SELFIES-VAE-BO2026.04 | -10.15 | -9.76 | -9.99 | -10 | -9.02 | -9.18 | -7.75 | -9.41 | |
| GraphGA2026.04 | -10.03 | -9.89 | -9.94 | -10.22 | -9.32 | -9.29 | -7.75 | -9.49 | |
| SMILES-VAE-BO2026.04 | -9.93 | -9.78 | -9.96 | -10.05 | -9.03 | -9.18 | -7.74 | -9.38 | |
| REINVENT2026.04 | -9.87 | -9.48 | -9.61 | -9.69 | -8.7 | -8.92 | -7.25 | -9.07 | |
| SMILES GA2026.04 | -9.56 | -9.56 | -10 | -9.61 | -8.8 | -9.21 | -7.54 | -9.18 | |
| 3DSBDD2026.04 | -9.05 | -10.02 | -10.1 | -9.8 | -8.23 | -8.71 | -8.47 | -9.2 | |
| MolDQN2026.04 | -6.73 | -6.51 | -7.09 | -6.79 | -5.92 | -6.27 | -6.87 | -6.6 |