Conformation Generation on GEOM-QM9
90.91Mean COV-RSubGDiff
Evaluation Results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| SubGDiffthreshold=0.5Å2024.05 | 90.91 | 95.59 | 0.246 | 0.2351 | 50.16 | 48.01 | 0.6114 | 0.4791 | |
| ConfGFthreshold=0.5Å2024.05 | 88.49 | 94.31 | 0.2673 | 0.2685 | 46.43 | 43.41 | 0.5224 | 0.5124 | |
| GeoDiffthreshold=0.5Å2024.05 | 80.36 | 83.82 | 0.282 | 0.2799 | 53.66 | 50.85 | 0.6673 | 0.4214 | |
| CGCFthreshold=0.5Å2024.05 | 78.05 | 82.48 | 0.4219 | 0.39 | 36.49 | 33.57 | 0.6615 | 0.6427 | |
| ConfVAEthreshold=0.5Å2024.05 | 77.84 | 88.2 | 0.4154 | 0.3739 | 38.02 | 34.67 | 0.6215 | 0.6091 | |
| GraphDGthreshold=0.5Å2024.05 | 73.33 | 84.21 | 0.4245 | 0.3973 | 43.9 | 35.33 | 0.5809 | 0.5823 | |
| GeoMolthreshold=0.5Å2024.05 | 71.26 | 72 | 0.3731 | 0.3731 | — | — | — | — | |
| CVGAEthreshold=0.5Å2024.05 | 0.09 | 0 | 1.6713 | 1.6088 | — | — | — | — |