Multi-Property Targeting (εho / Δε) on QM9
48MAE (εho)EGD
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| EGDBackbone=EDM2025.05 | 48 | 43 | |
| EGDBackbone=GeoLDM, Ablation=w/o CO2025.05 | 54 | 170 | |
| EGDBackbone=GeoLDM2025.05 | 62 | 92 | |
| EGDBackbone=EDM, Ablation=w/o CO2025.05 | 122 | 117 | |
| Top-NBackbone=EDM, Sampling Strategy=SR2025.05 | 125 | 240 | |
| Top-NBackbone=GeoLDM, Sampling Strategy=SR2025.05 | 126 | 203 | |
| EGDBackbone=GeoLDM, Ablation=w/o MT2025.05 | 175 | 205 | |
| EGDBackbone=EDM, Ablation=w/o MT2025.05 | 184 | 250 | |
| MUDMBackbone=GeoLDM2025.05 | 262 | 489 | |
| MUDMBackbone=EDM2025.05 | 262 | 489 | |
| Top-NBackbone=GeoLDM, Sampling Strategy=SE, Base=True2025.05 | 361 | 657 | |
| EEGSDEBackbone=GeoLDM2025.05 | 567 | 323 | |
| EEGSDEBackbone=EDM2025.05 | 567 | 323 | |
| Top-NBackbone=EDM, Sampling Strategy=SE, Base=True2025.05 | 578 | 655 |