Conformer Generation on Ring puckering (unrelaxed)
28Precision AMR (Å)GeoDiff
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| GeoDiffRelaxation status=Unrelaxed, Coverage threshold=0.1 Å2026.01 | 28 | 16.4 | 22 | 30.5 | |
| GeoDiffStructure state=unrelaxed, Coverage threshold=0.1 Å2026.01 | 24 | 24.9 | 18 | 42.4 | |
| RDKit KDGRelaxation status=Unrelaxed, Coverage threshold=0.1 Å2026.01 | 23 | 26.4 | 18 | 41.5 | |
| MCFRelaxation status=Unrelaxed, Coverage threshold=0.1 Å2026.01 | 23 | 24.6 | 19 | 35.6 | |
| RDKit ETKDG (Small Cycles)Relaxation status=Unrelaxed, Coverage threshold=0.1 Å2026.01 | 22 | 37.7 | 17 | 44.5 | |
| RDKit ETKDGRelaxation status=Unrelaxed, Coverage threshold=0.1 Å2026.01 | 22 | 35.6 | 17 | 42.9 | |
| RDKit KDGStructure state=unrelaxed, Coverage threshold=0.1 Å2026.01 | 20 | 33 | 15 | 51.4 | |
| RDKit ETKDGStructure state=unrelaxed, Coverage threshold=0.1 Å2026.01 | 18 | 43.6 | 14 | 53.3 | |
| PuckerFlowRelaxation status=Unrelaxed, Coverage threshold=0.1 Å2026.01 | 18 | 47.4 | 15 | 51 | |
| RDKit ETKDG (Small Cycles)Structure state=unrelaxed, Coverage threshold=0.1 Å2026.01 | 17 | 51.4 | 13 | 60.1 | |
| MCFStructure state=unrelaxed, Coverage threshold=0.1 Å2026.01 | 16 | 46.2 | 12 | 60 | |
| PuckerFlowStructure state=unrelaxed, Coverage threshold=0.1 Å2026.01 | 13 | 67.5 | 9 | 75.8 |