Unconditional Molecule Generation on QM9 explicit hydrogens (test)
98.7Molecular StabilityData
Evaluation Results
| Method | Links | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Datasource=Ground Truth2023.02 | 98.7 | 99.8 | 98.9 | 99.9 | — | 100 | 10 | 30 | 0 | 0.12 | 0 | |
| EDMPost-processing=Open Babel optimization2023.02 | 97.9 | 99.8 | 99 | 98.5 | 77.8 | 99.7 | 110 | 210 | 10 | 0.44 | 10 | |
| MiDiNoise schedule=adaptive2023.02 | 97.5 | 99.8 | 97.9 | 97.6 | 67.5 | 99.9 | 30 | 30 | 0 | 0.62 | 30 | |
| MiDiNoise schedule=uniform2023.02 | 96.1 | 99.7 | 96.6 | 97.6 | 64.9 | 99.8 | 40 | 90 | 10 | 0.67 | 160 | |
| GSchNet2023.02 | 92 | 98.7 | 98.1 | 94.5 | 80.5 | 97.1 | 490 | 420 | 110 | 1.68 | 50 | |
| EDM2023.02 | 90.7 | 99.2 | 91.7 | 98.5 | 75.9 | 99.3 | 110 | 210 | 20 | 0.44 | 10 |