Stable structure prediction on MPTS-52
34.02Match RateDiffCSP
Evaluation results
| Method | Links | ||
|---|---|---|---|
| DiffCSP# of samples=202023.07 | 34.02 | 0.1749 | |
| CDVAE# of samples=202023.07 | 20.79 | 0.2085 | |
| P-cG-SchNet# of samples=202023.07 | 12.96 | 0.3942 | |
| DiffCSP# of samples=12023.07 | 12.19 | 0.1786 | |
| BO# of samples=5,0002023.07 | 6.69 | 0.3444 | |
| CDVAE# of samples=12023.07 | 5.34 | 0.2106 | |
| P-cG-SchNet# of samples=12023.07 | 3.67 | 0.4115 | |
| RS# of samples=5,0002023.07 | 2.68 | 0.3444 | |
| RS# of samples=202023.07 | 2.05 | 0.3329 | |
| BO# of samples=202023.07 | 2.05 | 0.3024 | |
| PSO# of samples=5,0002023.07 | 1.09 | 0.239 | |
| PSO# of samples=202023.07 | 1.06 | 0.2339 | |
| FlowMM2024.06 | 0.1754 | 0.1726 | |
| DiffCSP2024.06 | 0.1219 | 0.1786 | |
| CDVAE2024.06 | 0.0534 | 0.2106 |