Crystal generation classification on MP20 (test)
5.4Duplication RateMP20 Test
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| MP20 TestRelaxation Potential=MACE-MPA-0, Stability Threshold=0.1 eV/atom2026.06 | 5.4 | 88.4 | 6.2 | |
| Chemeleon2Sampling=unconditional, Relaxation Potential=MACE-MPA-0, Stability Threshold=0.1 eV/atom, Fine-tuning=Reinforcement Learning (RL)2026.06 | 8.3 | 80.3 | 11.4 | |
| MatterGenSampling=unconditional, Relaxation Potential=MACE-MPA-0, Stability Threshold=0.1 eV/atom2026.06 | 20.5 | 60.6 | 18.9 | |
| WyckoffTransformerSampling=unconditional, Relaxation Potential=MACE-MPA-0, Stability Threshold=0.1 eV/atom2026.06 | 26.6 | 59.7 | 13.7 | |
| DiffCSP++Sampling=unconditional, Relaxation Potential=MACE-MPA-0, Stability Threshold=0.1 eV/atom2026.06 | 28.7 | 63 | 8.3 | |
| CrystaliteSampling=unconditional, Relaxation Potential=MACE-MPA-0, Stability Threshold=0.1 eV/atom2026.06 | 29.6 | 60.5 | 9.9 |