Molecule Generation on QM9 explicit hydrogens
97.8ValidityDataset (optimal)
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| Dataset (optimal)2024.02 | 97.8 | 100 | 98.5 | 87 | |
| PARDauxiliary features=false2024.02 | 97.5 | 95.8 | 98.4 | 86.1 | |
| DiGressdistribution=marginal, auxiliary features=true2024.02 | 95.4 | 97.6 | 98.1 | 79.8 | |
| DiGressdistribution=marginal2024.02 | 92.3 | 97.9 | 97.3 | 66.8 | |
| DiGressdistribution=uniform2024.02 | 89.8 | 97.8 | 97.3 | 70.5 | |
| ConGress2024.02 | 86.7 | 98.4 | 97.2 | 69.5 |