Drug-like small molecule design on SAFE ZINC and Unichem (test)
99.733ValidityGenMol
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| GenMolconfidence_based_sampling=true2026.06 | 99.733 | 99.532 | 84 | 0.813 | 2.881 | 0.817 | |
| A2D2ablation=w/o unmasking quality2026.06 | 98.6 | 85.801 | 82.367 | 0.818 | 2.753 | 0.789 | |
| GenMolconfidence_based_sampling=false2026.06 | 98.467 | 99.763 | 73.667 | 0.763 | 3.024 | 0.859 | |
| A2D2ablation=w/o quality2026.06 | 96.4 | 62.484 | 76.067 | 0.795 | 2.306 | 0.73 | |
| Pre-trainedlength=Any Length2026.06 | 95.8 | 99.582 | 44.167 | 0.641 | 3.401 | 0.908 | |
| A2D2ablation=w/ both quality2026.06 | 94.533 | 93.695 | 71.3 | 0.762 | 2.87 | 0.843 | |
| A2D2ablation=w/o insertion quality2026.06 | 92.2 | 93.746 | 71.067 | 0.752 | 2.654 | 0.832 |