Crystal Structure Prediction on MPTS-52 (test)
41.45MRMCFlow-L
Evaluation results
| Method | Links | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| MCFlow-Lmodel_scale=Large, number_of_samples=20, noisy_guidance=false2026.02 | 41.45 | 0.1296 | — | — | — | — | — | — | — | — | |
| MCFlow-Bmodel_scale=Base, number_of_samples=20, noisy_guidance=false2026.02 | 41.4 | 0.1465 | — | — | — | — | — | — | — | — | |
| CrystalFlownumber_of_samples=20, noisy_guidance=false2026.02 | 40.37 | 0.1576 | — | — | — | — | — | — | — | — | |
| MCFlow-Smodel_scale=Small, number_of_samples=20, noisy_guidance=false2026.02 | 38.91 | 0.1717 | — | — | — | — | — | — | — | — | |
| DiffCSPnumber_of_samples=20, noisy_guidance=false2026.02 | 34.02 | 0.1749 | — | — | — | — | — | — | — | — | |
| MCFlow-Lmodel_scale=Large, number_of_samples=1, noisy_guidance=true2026.02 | 27.16 | 0.1401 | — | — | — | — | — | — | — | — | |
| MCFlow-Bmodel_scale=Base, number_of_samples=1, noisy_guidance=true2026.02 | 26.46 | 0.1572 | — | — | — | — | — | — | — | — | |
| MCFlow-Smodel_scale=Small, number_of_samples=1, noisy_guidance=true2026.02 | 22.88 | 0.1845 | — | — | — | — | — | — | — | — | |
| CrystalFlownumber_of_samples=1, noisy_guidance=true2026.02 | 22.71 | 0.1548 | — | — | — | — | — | — | — | — | |
| OMatGnumber_of_samples=1, noisy_guidance=true2026.02 | 21.7 | 0.2353 | — | — | — | — | — | — | — | — | |
| FlowMMnumber_of_samples=1, noisy_guidance=true2026.02 | 17.54 | 0.1726 | — | — | — | — | — | — | — | — | |
| DiffCSPnumber_of_samples=1, noisy_guidance=true2026.02 | 12.19 | 0.1786 | — | — | — | — | — | — | — | — | |
| CDVAEnumber_of_samples=1, noisy_guidance=true2026.02 | 5.34 | 0.2106 | — | — | — | — | — | — | — | — | |
| ALM Edit2026.06 | — | — | 22.7 | 0.022 | 45.7 | 0.038 | — | — | — | — | |
| ALM Gen + T2C-FKFK enabled=true2026.06 | — | — | 6 | 0.04 | 10 | 0.011 | — | — | — | — | |
| CDVAE2026.06 | — | — | 5.34 | 0.2106 | 20.79 | 0.2085 | — | — | — | — | |
| CrystalFlow2026.06 | — | — | 21 | 0.1613 | 37.81 | 0.1584 | — | — | — | — | |
| CrystaliteSource=Original paper2026.06 | — | — | — | — | — | — | — | 31.49 | — | 0.0701 | |
| Crystalite (reproduced)Source=Reproduced †, Evaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 27.26 | 24.98 | 0.1181 | 0.118 | |
| CrystaLLM-large2026.06 | — | — | 19.21 | 0.111 | 33.75 | 0.1059 | — | — | — | — | |
| DiffCSP2026.06 | — | — | 12.19 | 0.1786 | 34.02 | 0.1749 | — | — | — | — | |
| DiffCSPEvaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 15.79 | 14.29 | 0.1533 | 0.1489 | |
| FlowMM2026.06 | — | — | 17.54 | 0.1726 | — | — | — | — | — | — | |
| FlowMMEvaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 22.29 | 20.28 | 0.1541 | 0.1486 | |
| MaskGXTDecoding strategy=greedy, Evaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 36.75 | 33.34 | 0.1004 | 0.0975 | |
| MCFlowvariant=base, Evaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 28.77 | 26.46 | 0.161 | 0.1577 | |
| MCFlow-L2026.06 | — | — | 27.16 | 0.1401 | 41.45 | 0.1296 | — | — | — | — | |
| OMatG2026.06 | — | — | 25.15 | 0.1931 | — | — | — | — | — | — | |
| OMatGvariant=linear-ODE, Evaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 27.38 | 25.15 | 0.197 | 0.1931 |