3D Molecule Generation on QM9 (unconditional)
99.1Atom StabilityGEOBFN
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| GEOBFNSteps=10002026.01 | 99.1 | 90.9 | 95.3 | 93 | |
| MOTIFLOWSteps=1002026.01 | 99.1 | 92.6 | 95.3 | 86.3 | |
| GeoLDM+UCDUCD=True2026.06 | 99.1 | 91.4 | 95.7 | 93.1 | |
| Data2023.12 | 99 | 95.2 | 97.7 | 97.7 | |
| Data2026.06 | 99 | 95.2 | 97.7 | 97.7 | |
| EquiFM2023.12 | 98.9 | 88.3 | 94.7 | 93.5 | |
| GEOLDMSteps=10002026.01 | 98.9 | 89.4 | 93.8 | 92.7 | |
| EQUIFMSteps=N/A2026.01 | 98.9 | 88.3 | 94.7 | 93.5 | |
| ENDSteps=10002026.01 | 98.9 | 89.1 | 94.8 | 92.6 | |
| GeoLDM2026.06 | 98.9 | 89.4 | 93.8 | 92.7 | |
| RADM+UCDUCD=True2026.06 | 98.9 | 88.4 | 96.4 | 91.8 | |
| EDM-BridgeSource=own tests2023.12 | 98.8 | 84.6 | 92 | 90.7 | |
| EDM-BRIDGESteps=10002026.01 | 98.8 | 84.6 | 92 | 90.7 | |
| EDM-BridgeMethod Category=Diffusion2025.10 | 98.8 | 84.6 | — | 90.7 | |
| TreeDiffMethod Category=Inference-Time2025.10 | 98.8 | 88.6 | — | 94.8 | |
| EDM+UCDUCD=True2026.06 | 98.8 | 87.2 | 94.3 | 92.9 | |
| EDM2023.12 | 98.7 | 82 | 91.9 | 90.7 | |
| EDMSteps=10002026.01 | 98.7 | 82 | 91.9 | 90.7 | |
| EDMMethod Category=Diffusion2025.10 | 98.7 | 82.6 | — | 90.7 | |
| GCDMMethod Category=Diffusion2025.10 | 98.7 | 85.7 | — | 93.3 | |
| TAGMolMethod Category=Inference-Time2025.10 | 98.7 | 85.5 | — | 92.9 | |
| EDM2026.06 | 98.7 | 82 | 91.9 | 90.7 | |
| Best-of-NMethod Category=Inference-Time2025.10 | 98.6 | 87.5 | — | 93.9 | |
| Beam SearchMethod Category=Inference-Time2025.10 | 98.5 | 87.1 | — | 93.2 | |
| RADM2026.06 | 98.5 | 87.3 | 94.1 | 91.7 | |
| EDM*Steps=10002026.01 | 98.4 | 85.3 | 93.5 | 91.9 | |
| SVDDMethod Category=Inference-Time2025.10 | 98.4 | 86.3 | — | 92.8 | |
| GeoLDMMethod Category=Diffusion2025.10 | 98.2 | 80.7 | — | 92.3 | |
| MiDiMethod Category=Diffusion2025.10 | 97.9 | 84 | — | 95 | |
| GraphLDM-AugMethod Category=Diffusion2025.10 | 97.9 | 78.7 | — | 89.5 | |
| GDM-AUGAugmentation=true2023.12 | 97.6 | 71.6 | 90.4 | 89.5 | |
| GDM-AugMethod Category=Diffusion2025.10 | 97.6 | 71.6 | — | 89.5 | |
| LDM-3DGMethod Category=Diffusion2025.10 | 97.6 | 87.7 | — | 95.3 | |
| GraphLDMMethod Category=Diffusion2025.10 | 97.2 | 70.5 | — | 82.7 | |
| GDM2023.12 | 97 | 63.2 | — | — | |
| GDMMethod Category=Diffusion2025.10 | 97 | 63.2 | — | — | |
| G-Schnet2023.12 | 95.7 | 68.1 | 85.5 | 80.3 | |
| G-SchNetMethod Category=Trad.2025.10 | 95.7 | 68.1 | — | 80.3 | |
| G-SchNet2026.06 | 95.7 | 68.1 | 85.5 | 80.3 | |
| ENF2023.12 | 85 | 4.9 | 40.2 | 39.4 | |
| ENFMethod Category=Trad.2025.10 | 85 | 4.9 | — | 39.4 | |
| ENF2026.06 | 85 | 4.9 | 40.2 | 39.4 |