3D Molecule Generation on QM9 (TV Metrics and Strain Energy)
0.9TV (A)END
Evaluation Results
| Method | Links | |||
|---|---|---|---|---|
| ENDSteps=5002025.06 | 0.9 | 0.7 | 10 | |
| ENDSteps=10002025.06 | 0.9 | 1 | 9.7 | |
| ENDSteps=2502025.06 | 1 | 0.5 | 10.3 | |
| ENDSteps=1002025.06 | 1.1 | 1.5 | 11.1 | |
| ENDSteps=502025.06 | 1.4 | 1.9 | 13.1 | |
| GEOLDMSteps=10002025.06 | 1.6 | 1.3 | 10.4 | |
| EDM*Steps=10002025.06 | 2.5 | 1.4 | 11.3 | |
| EDM*Steps=5002025.06 | 2.6 | 1.3 | 11.7 | |
| EDM*Steps=2502025.06 | 2.8 | 1.3 | 12.3 | |
| EDM*Steps=1002025.06 | 3.5 | 1.4 | 13.5 | |
| EDM*Steps=502025.06 | 4.6 | 1.7 | 16.4 |