Stable structure prediction on Carbon-24
88.47Match RateDiffCSP
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| DiffCSP# of samples=202023.07 | 88.47 | 0.2192 | |
| CDVAE# of samples=202023.07 | 88.37 | 0.2286 | |
| P-cG-SchNet# of samples=202023.07 | 55.91 | 0.3551 | |
| deCIFerevaluation protocol=single-sample, seeds=32025.02 | 37.96 | 0.2028 | |
| FlowMM2024.06 | 23.47 | 0.4122 | |
| CrystaLLM-smallevaluation protocol=single-sample2025.02 | 21.13 | 0.1687 | |
| CrystaLLM-largeevaluation protocol=single-sample2025.02 | 20.25 | 0.1761 | |
| U-deCIFerevaluation protocol=single-sample, seeds=32025.02 | 17.6 | 0.1532 | |
| DiffCSP2024.06 | 17.54 | 0.2759 | |
| DiffCSP# of samples=12023.07 | 17.54 | 0.2759 | |
| DiffCSPevaluation protocol=single-sample2025.02 | 17.54 | 0.2759 | |
| P-cG-SchNet# of samples=12023.07 | 17.29 | 0.3846 | |
| CDVAE2024.06 | 17.09 | 0.2969 | |
| CDVAE# of samples=12023.07 | 17.09 | 0.2969 | |
| CDVAEevaluation protocol=single-sample2025.02 | 17.09 | 0.2969 | |
| RS# of samples=202023.07 | 14.63 | 0.4041 | |
| RS# of samples=5,0002023.07 | 14.63 | 0.4041 | |
| BO# of samples=5,0002023.07 | 12.17 | 0.4089 | |
| PSO# of samples=5,0002023.07 | 6.5 | 0.4211 | |
| PSO# of samples=202023.07 | 6.4 | 0.4204 | |
| BO# of samples=202023.07 | 0.44 | 0.3653 |