Molecule Generation on QM9 (NLL, Stability, Validity, Uniqueness)
-117.4NLLcanon+GDM
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| canon+GDMs/sample=0.552025.01 | -117.4 | 84.6 | 98.4 | 94.4 | 99.7 | |
| canon(fr)+GDMs/sample=0.552025.01 | 104.1 | 82.1 | 97.8 | 92.9 | 99.5 | |
| GDMs/sample=0.552025.01 | 105.8 | 70.6 | 97.5 | 88.6 | 99.8 | |
| EDMs/sample=1.162025.01 | 110.7 | 82 | 98.7 | 91.9 | 90.7 |