Atom type generation on MP-20
90.23Compositional AccuracyMCFlow-L
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MCFlow-LModel size=Large, Samples per structure=202026.02 | 90.23 | 15.3 | |
| MCFlow-BModel size=Base, Samples per structure=202026.02 | 90.22 | 14.73 | |
| MCFlow-BModel size=Base, Samples per structure=12026.02 | 90.17 | 3.12 | |
| MCFlow-LModel size=Large, Samples per structure=12026.02 | 90.07 | 3.32 | |
| MCFlow-SModel size=Small, Samples per structure=12026.02 | 88.97 | 1.57 | |
| MCFlow-SModel size=Small, Samples per structure=202026.02 | 88.71 | 15.34 | |
| CGCNNType=Deterministic baseline2026.02 | 87.06 | 4.71 |