Molecular Generation on QM9 n=10,000
100ValidityTopVAE+DiT
Evaluation results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| TopVAE+DiTsample size=10,0002026.06 | 100 | 0.185 | 91.4 | 45.1 | 36.3 | 95.7 | 9,571 | 3,477 | |
| UDM-3Dsample size=10,000, status=re-trained using official repository2026.06 | 99.86 | 0.207 | 91.6 | 42.3 | 29.6 | 96.6 | 9,660 | 2,864 |