Table 1 Results on stable structure reconstruction task
From: Massive discovery of crystal structures across dimensionalities by leveraging vector quantization
Model | MP-20 | Perov-5 | Carbon-24 | |||
|---|---|---|---|---|---|---|
Match rate↑ | RMS↓ | Match rate↑ | RMS↓ | Match rate↑ | RMS↓ | |
FTCP41 | 69.89 | 0.1593 | 99.34 | 0.0259 | 62.28 | 0.2563 |
Cond-DFC-VAE38 | - | - | 51.65 | 0.0217 | - | - |
CDVAE | 45.43 | 0.0356 | 97.52 | 0.156 | 55.22 | 0.1251 |
P-cG-SchNet39 | 15.39 | 0.3762 | 48.22 | 0.4179 | 17.29 | 0.3846 |
DiffCSP36 | 51.49 | 0.0631 | 52.02 | 0.0760 | 17.40 | 0.2759 |
VQCrystal | 77.70 | 0.088 | 95.60 | 0.0438 | 70.03 | 0.2573 |
