Molecular Generation on Zinc250K (Validity, FCD, NSPDK, Novelty)
100ValidityTRAIN. SET
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| TRAIN. SET2026.03 | 100 | 1.128 | 0.1 | 99.97 | — | |
| UNSIDE2026.03 | 99.98 | 1.79 | 1 | 100 | 99.97 | |
| NM-DD2026.03 | 99.92 | 2.65 | 3.48 | 99.88 | 99.95 | |
| SID2026.03 | 99.5 | 2.06 | 2.01 | 99.84 | 99.97 | |
| GRUM2026.03 | 98.65 | 2.257 | 1.5 | — | — | |
| DIRIFM2026.03 | 97.32 | 2.79 | 1.92 | 99.99 | 99.99 | |
| DIGRESS2026.03 | 94.99 | 3.482 | 2.1 | — | — | |
| DISCDIF2026.03 | 74.17 | 4.78 | 4.08 | 100 | 100 | |
| NN-CD2026.03 | 57.96 | 9.51 | 13.65 | 99.92 | 99.99 |