Atom type generation on MPTS-52
84.25Comp. AccuracyMCFlow-L
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MCFlow-LModel size=Large, Samples per structure=202026.02 | 84.25 | 7.2 | |
| MCFlow-BModel size=Base, Samples per structure=202026.02 | 84.17 | 5.72 | |
| MCFlow-LModel size=Large, Samples per structure=12026.02 | 83.67 | 1.24 | |
| MCFlow-BModel size=Base, Samples per structure=12026.02 | 83.56 | 1.2 | |
| MCFlow-SModel size=Small, Samples per structure=202026.02 | 83.22 | 7.22 | |
| MCFlow-SModel size=Small, Samples per structure=12026.02 | 83.14 | 1.01 | |
| CGCNNType=Deterministic baseline2026.02 | 82.08 | 3.5 |