Conformation Generation on GEOM-QM9 Domain Generalization
83.5Coverage Recall MeanSubGDiff
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| SubGDiffTrain data=Drugs2024.05 | 83.5 | 88.7 | 0.3116 | 0.3075 | |
| CGCFTrain data=QM92024.05 | 78.05 | 82.48 | 0.4219 | 0.39 | |
| ConfVAETrain data=QM92024.05 | 77.84 | 88.2 | 0.4154 | 0.3739 | |
| GeoDiffTrain data=Drugs2024.05 | 74.94 | 79.15 | 0.3492 | 0.3392 | |
| Simm & Hernandez-LobatoTrain data=QM92024.05 | 73.33 | 84.21 | 0.4245 | 0.3973 | |
| GeoMolTrain data=QM92024.05 | 71.26 | 72 | 0.3731 | 0.3731 | |
| CVGAETrain data=QM92024.05 | 0.09 | 0 | 1.6713 | 1.6088 |