Molecular Generation on GEOM-Drugs n=10,000 sampled
1Validity RateTopVAE+DiT
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| TopVAE+DiTEvaluation sample size=10,000 (100%)2026.06 | 1 | 2.68 | 87.4 | 99.95 | 88.7 | 99.99 | |
| UDM-3DTraining=Re-trained using official UDM-3D repository, Evaluation=Computed on 1,823 valid molecules2026.06 | 0.1823 | 25.73 | 89.8 | 100 | 85.4 | 100 |