Molecule Generation on QM9 (Validity Metrics A, M, V, VxU)
99.1Validity AGEOBFN
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| GEOBFNSteps=10002025.06 | 99.1 | 90.9 | 95.3 | 93 | |
| Data2025.06 | 99 | 95.2 | 97.7 | 97.7 | |
| GEOLDMSteps=10002025.06 | 98.9 | 89.4 | 93.8 | 92.7 | |
| ENDSteps=2502025.06 | 98.9 | 88.8 | 94.7 | 92.6 | |
| ENDSteps=5002025.06 | 98.9 | 88.8 | 94.8 | 92.8 | |
| ENDSteps=10002025.06 | 98.9 | 89.1 | 94.8 | 92.6 | |
| EDM-BRIDGESteps=10002025.06 | 98.8 | 84.6 | 92 | 90.7 | |
| GEOBFNSteps=5002025.06 | 98.8 | 88.4 | 93.4 | 91.8 | |
| ENDSteps=1002025.06 | 98.8 | 87.4 | 94.1 | 92.3 | |
| EDMSteps=10002025.06 | 98.7 | 82 | 91.9 | 90.7 | |
| GEOBFNSteps=1002025.06 | 98.6 | 87.2 | 93 | 91.5 | |
| ENDSteps=502025.06 | 98.6 | 84.6 | 92.7 | 91.4 | |
| EDM*Steps=5002025.06 | 98.4 | 85.2 | 93.5 | 92.2 | |
| EDM*Steps=10002025.06 | 98.4 | 85.3 | 93.5 | 91.9 | |
| GEOBFNSteps=502025.06 | 98.3 | 85.1 | 92.3 | 90.7 | |
| EDM*Steps=2502025.06 | 98.3 | 84.3 | 93.2 | 91.7 | |
| EDM*Steps=1002025.06 | 98.1 | 81.9 | 92.1 | 90.9 | |
| EDM*Steps=502025.06 | 97.6 | 77.6 | 90.2 | 89.2 |