Molecule Generation on QM9 without H
99.9ValidityOurs
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| OursSteps=502025.11 | 99.9 | 93.7 | 0.3 | |
| OursSteps=5002025.11 | 99.9 | 96.2 | 0.09 | |
| ComethSteps=5002025.11 | 99.6 | 96.8 | 0.25 | |
| Train Set2025.11 | 99.3 | 100 | 0.05 | |
| DisCoSteps=5002025.11 | 99.3 | — | — | |
| DeFoGSteps=5002025.11 | 99.3 | 96.3 | 0.12 | |
| DiGressSteps=5002025.11 | 99 | 96.2 | — | |
| DeFoGSteps=502025.11 | 98.9 | 96.2 | 0.26 | |
| DiGress (CADD)Steps=5002025.11 | 96.3 | 83.4 | 5.25 | |
| Fisher FMSteps=5002025.11 | 95.3 | — | — |