Molecular Generation on QM9 (Val. w/o corr., NSPDK MMD, FCD)
98.02Validity (w/o correction)HGDM
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| HGDMcorrector=WC2026.04 | 98.02 | 0.002 | 2.147 | |
| HGDMcorrector=WC, sampling=S++2026.04 | 97.03 | 0.001 | 2.001 | |
| HGDMcorrector=OC, sampling=S++2026.04 | 94.95 | 0.003 | 2.512 | |
| GDSScorrector=WC2026.04 | 94.91 | 0.004 | 2.55 | |
| GDSScorrector=WC, sampling=S++2026.04 | 93.79 | 0.001 | 1.661 | |
| GDSScorrector=OC, sampling=S++2026.04 | 93.74 | 0.001 | 1.661 | |
| HGDMcorrector=OC2026.04 | 92.22 | 0.005 | 3.164 | |
| MoFlow2026.04 | 91.36 | 0.017 | 4.467 | |
| GraphDF2026.04 | 82.67 | 0.063 | 10.816 | |
| GDSScorrector=OC2026.04 | 73.49 | 0.015 | 4.584 | |
| GraphAF2026.04 | 67 | 0.02 | 5.268 | |
| EDP-GNN2026.04 | 47.52 | 0.005 | 2.68 | |
| GraphEBM2026.04 | 8.22 | 0.03 | 6.143 |