Multi-Property Targeting (εho / εlu) on QM9
44MAE (εho)EGD
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| EGDBackbone=EDM2025.05 | 44 | 91 | |
| EGDBackbone=EDM, Ablation=w/o CO2025.05 | 68 | 148 | |
| EGDBackbone=GeoLDM, Ablation=w/o CO2025.05 | 69 | 143 | |
| Top-NBackbone=GeoLDM, Sampling Strategy=SR2025.05 | 115 | 238 | |
| Top-NBackbone=EDM, Sampling Strategy=SR2025.05 | 122 | 231 | |
| EGDBackbone=EDM, Ablation=w/o MT2025.05 | 131 | 238 | |
| EGDBackbone=GeoLDM, Ablation=w/o MT2025.05 | 143 | 211 | |
| EGDBackbone=GeoLDM2025.05 | 182 | 205 | |
| MUDMBackbone=GeoLDM2025.05 | 317 | 455 | |
| MUDMBackbone=EDM2025.05 | 317 | 455 | |
| EEGSDEBackbone=GeoLDM2025.05 | 355 | 517 | |
| EEGSDEBackbone=EDM2025.05 | 355 | 517 | |
| Top-NBackbone=EDM, Sampling Strategy=SE, Base=True2025.05 | 372 | 594 | |
| Top-NBackbone=GeoLDM, Sampling Strategy=SE, Base=True2025.05 | 384 | 634 |