Crystal Structure Prediction on MP-20 July 2021 (test)
78.34MRCrystalFlow
Evaluation results
| Method | Links | ||
|---|---|---|---|
| CrystalFlownumber_of_samples=20, noisy_guidance=false2026.02 | 78.34 | 0.0577 | |
| DiffCSPnumber_of_samples=20, noisy_guidance=false2026.02 | 77.93 | 0.0492 | |
| MCFlow-Smodel_scale=Small, number_of_samples=20, noisy_guidance=false2026.02 | 77.84 | 0.0939 | |
| MCFlow-Bmodel_scale=Base, number_of_samples=20, noisy_guidance=false2026.02 | 77.12 | 0.0439 | |
| MCFlow-Lmodel_scale=Large, number_of_samples=20, noisy_guidance=false2026.02 | 76.08 | 0.0383 | |
| MCFlow-Lmodel_scale=Large, number_of_samples=1, noisy_guidance=true2026.02 | 64.08 | 0.0561 | |
| MCFlow-Bmodel_scale=Base, number_of_samples=1, noisy_guidance=true2026.02 | 63.14 | 0.0611 | |
| CrystalFlownumber_of_samples=1, noisy_guidance=true2026.02 | 62.02 | 0.071 | |
| OMatGnumber_of_samples=1, noisy_guidance=true2026.02 | 61.88 | 0.1611 | |
| FlowMMnumber_of_samples=1, noisy_guidance=true2026.02 | 61.39 | 0.0566 | |
| MCFlow-Smodel_scale=Small, number_of_samples=1, noisy_guidance=true2026.02 | 56.1 | 0.1269 | |
| DiffCSPnumber_of_samples=1, noisy_guidance=true2026.02 | 51.49 | 0.0631 | |
| CDVAEnumber_of_samples=1, noisy_guidance=true2026.02 | 33.9 | 0.1045 |