Molecular Conformation Generation on Molecular Conformation (test)
0.28Precision AMR (Å)GeoDiff
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| GeoDiffStructure Relaxation=Unrelaxed2026.01 | 0.28 | 16.4 | 0.22 | 30.5 | |
| RDKit KDGStructure Relaxation=Unrelaxed2026.01 | 0.23 | 26.4 | 0.18 | 41.5 | |
| MCFStructure Relaxation=Unrelaxed2026.01 | 0.23 | 24.6 | 0.19 | 35.6 | |
| RDKit ETKDG (Small Cycles)Structure Relaxation=Unrelaxed2026.01 | 0.22 | 37.7 | 0.17 | 44.5 | |
| RDKit ETKDGStructure Relaxation=Unrelaxed2026.01 | 0.22 | 35.6 | 0.17 | 42.9 | |
| GeoDiffStructure Relaxation=Relaxed with MMFF2026.01 | 0.2 | 50.9 | 0.17 | 53.9 | |
| PuckerFlowStructure Relaxation=Unrelaxed2026.01 | 0.18 | 47.4 | 0.15 | 51 | |
| RDKit ETKDGStructure Relaxation=Relaxed with MMFF2026.01 | 0.18 | 54.2 | 0.15 | 54.6 | |
| RDKit KDGStructure Relaxation=Relaxed with MMFF2026.01 | 0.18 | 54.3 | 0.16 | 55.7 | |
| RDKit ETKDG (Small Cycles)Structure Relaxation=Relaxed with MMFF2026.01 | 0.17 | 55.8 | 0.14 | 56.3 | |
| MCFStructure Relaxation=Relaxed with MMFF2026.01 | 0.17 | 56.4 | 0.14 | 58.2 | |
| PuckerFlowStructure Relaxation=Relaxed with MMFF2026.01 | 0.16 | 61.5 | 0.14 | 61 |