Molecular Generation on ZINC20
60.9ValidityStatic
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| Staticα=1, N=1,000, backbone=21.9M SMILES2026.05 | 60.9 | 0.647 | 338 | 31.1 | 0.005 | |
| UnconstrainedN=1,000, backbone=21.9M SMILES2026.05 | 59.9 | 0.648 | 330 | 29.4 | — | |
| CDDτ=0.5, o=5, i=10, N=1,000, backbone=21.9M SMILES2026.05 | 59.7 | 0.624 | 382 | 42.2 | 0.025 | |
| Staticα=5, N=1,000, backbone=21.9M SMILES2026.05 | 59.6 | 0.598 | 382 | 41.4 | 0.019 | |
| Staticα=2, N=1,000, backbone=21.9M SMILES2026.05 | 59.1 | 0.649 | 348 | 33.1 | 0.008 | |
| CDDτ=0.3, o=5, i=10, N=1,000, backbone=21.9M SMILES2026.05 | 57.9 | 0.617 | 372 | 38.9 | 0.019 | |
| D-CBGγ=2, N=1,000, backbone=21.9M SMILES2026.05 | 57.4 | 0.606 | 356 | 35.3 | 0.014 | |
| D-CBGγ=5, N=1,000, backbone=21.9M SMILES2026.05 | 54.8 | 0.544 | 412 | 42.8 | 0.048 | |
| SPDDη=1.0, λ0=0.1, bias=per-position, N=1,000, backbone=21.9M SMILES, selection=best of a 7-config sweep2026.05 | 49.9 | 0.504 | 473 | 48.5 | 0.096 |