Crystal Structure Generation on MP-20
77.85Match RateDiffCSP
Evaluation results
| Method | Links | ||
|---|---|---|---|
| DiffCSP# of samples=202023.07 | 77.85 | 0.0493 | |
| CDVAE# of samples=202023.07 | 67.2 | 0.1012 | |
| DiffCSP# of samples=12023.07 | 51.89 | 0.0611 | |
| CDVAE# of samples=12023.07 | 33.93 | 0.1069 | |
| P-cG-SchNet# of samples=202023.07 | 32.7 | 0.302 | |
| P-cG-SchNet# of samples=12023.07 | 15.59 | 0.3747 |