ab initio generation on Carbon-24
100Structural ValidityCDVAE
Evaluation Results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| CDVAE2023.07 | 100 | — | 99.8 | 83.08 | 0.1407 | 0.285 | — | |
| DiffCSP2023.07 | 100 | — | 99.9 | 97.27 | 0.0805 | 0.082 | — | |
| G-SchNet2023.07 | 99.94 | — | 0 | 0 | 0.9427 | 1.32 | — | |
| P-G-SchNet2023.07 | 48.39 | — | 0 | 0 | 1.533 | 134.7 | — | |
| FTCP2023.07 | 0.08 | — | 0 | 0 | 5.206 | 19.05 | — |