Molecular Crystal Structure Prediction on Rigid Dataset (test)
0.731ColSA-Transformer
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| A-TransformerNumber of samples (nS)=302025.12 | 0.731 | 0.015 | 0.06 | 0.033 | 0.12 | 0.06 | |
| AssembleFlowNumber of samples (nS)=302025.12 | 0.524 | 0.001 | 0.04 | 0.001 | 0.02 | 0 | |
| OXTALNumber of samples (nS)=302025.12 | 0.011 | 0.873 | 1 | 0.737 | 0.96 | 0.3 |