Crystal structure prediction on MP-20 (test)
64.08Match Rate @ 1MCFlow-L
Evaluation results
| Method | Links | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| MCFlow-L2026.06 | 64.08 | 0.0561 | 76.08 | 0.0383 | — | — | — | — | — | — | |
| OMatG2026.06 | 63.75 | 0.072 | — | — | — | — | — | — | — | — | |
| CrystalFlow2026.06 | 62.02 | 0.071 | 78.34 | 0.0577 | — | — | — | — | — | — | |
| FlowMM2026.06 | 61.39 | 0.0566 | — | — | — | — | — | — | — | — | |
| CrystaLLM-large2026.06 | 58.7 | 0.0408 | 73.97 | 0.0349 | — | — | — | — | — | — | |
| DiffCSP2026.06 | 51.49 | 0.0631 | 77.93 | 0.0492 | — | — | — | — | — | — | |
| ALM Edit2026.06 | 45.6 | 0.021 | 83.2 | 0.034 | — | — | — | — | — | — | |
| CDVAE2026.06 | 33.9 | 0.1045 | 66.95 | 0.1026 | — | — | — | — | — | — | |
| ALM Gen + T2C-FKFK enabled=true2026.06 | 22.3 | 0.025 | 41 | 0.012 | — | — | — | — | — | — | |
| Crystalitesampling budget=equal to number of reference structures2026.06 | — | — | — | — | 70.45 | 0.178 | — | — | — | — | |
| CrystaliteSource=Original paper2026.06 | — | — | — | — | — | — | — | 66.05 | — | 0.0329 | |
| Crystalite (reproduced)Source=Reproduced †, Evaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 69.64 | 63.46 | 0.0412 | 0.0397 | |
| DiffCSPsampling budget=equal to number of reference structures2026.06 | — | — | — | — | 58.8 | 0.244 | — | — | — | — | |
| DiffCSPEvaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 57.82 | 52.51 | 0.0627 | 0.06 | |
| FlowMMsampling budget=equal to number of reference structures2026.06 | — | — | — | — | 67 | 0.21 | — | — | — | — | |
| FlowMMEvaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 66.22 | 59.98 | 0.0661 | 0.0629 | |
| MaskGXTsampling budget=equal to number of reference structures, sampling strategy=space group stratified sampling2026.06 | — | — | — | — | 74.78 | 0.152 | — | — | — | — | |
| MaskGXTDecoding strategy=greedy, Evaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 73.79 | 67.06 | 0.033 | 0.0325 | |
| MCFlowsampling budget=equal to number of reference structures2026.06 | — | — | — | — | 69.7 | 0.2 | — | — | — | — | |
| MCFlowvariant=base, Evaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 69.23 | 63.14 | 0.0663 | 0.0611 | |
| OMatGsampling budget=equal to number of reference structures2026.06 | — | — | — | — | 66 | 0.208 | — | — | — | — | |
| OMatGvariant=linear-ODE, Evaluation protocol=one-to-one2026.06 | — | — | — | — | — | — | 69.83 | 63.75 | 0.0741 | 0.072 |