Stable structure prediction on MP-20
77.93Match RateDiffCSP
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| DiffCSP# of samples=202023.07 | 77.93 | 0.0492 | |
| CDVAE# of samples=202023.07 | 66.95 | 0.1026 | |
| FlowMM2024.06 | 61.39 | 0.0566 | |
| DiffCSP2024.06 | 51.49 | 0.0631 | |
| DiffCSP# of samples=12023.07 | 51.49 | 0.0631 | |
| CDVAE2024.06 | 33.9 | 0.1045 | |
| CDVAE# of samples=12023.07 | 33.9 | 0.1045 | |
| P-cG-SchNet# of samples=202023.07 | 32.64 | 0.3018 | |
| P-cG-SchNet# of samples=12023.07 | 15.39 | 0.3762 | |
| BO# of samples=5,0002023.07 | 12.68 | 0.2816 | |
| RS# of samples=5,0002023.07 | 11.49 | 0.2822 | |
| RS# of samples=202023.07 | 8.73 | 0.2501 | |
| BO# of samples=202023.07 | 8.11 | 0.2402 | |
| PSO# of samples=5,0002023.07 | 4.35 | 0.167 | |
| PSO# of samples=202023.07 | 4.05 | 0.1567 |