3D Molecule Generation on GEOM-DRUG (test)
99.8Atom Stability (%)MiDi
Evaluation results
| Method | Links | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| MiDiNFE=5002024.06 | 99.8 | 77.8 | 91.6 | 100 | 100 | — | — | — | — | — | |
| EQGAT-diffNFE=5002024.06 | 99.8 | 94.6 | 93.4 | 100 | 99.9 | — | — | — | — | — | |
| SEMLAFLOWNFE=1002024.06 | 99.8 | 93.9 | 97.3 | 100 | 99.6 | — | — | — | — | — | |
| VECMOLNFvariant=Normalizing Flow2026.03 | 99.2 | 82.5 | 77.5 | 77.6 | — | 0.056 | 0.031 | 0.269 | 0.038 | 3.47 | |
| FlowMolNFE=1002024.06 | 99 | 51.2 | 67.5 | — | — | — | — | — | — | — | |
| VECMOL2026.03 | 99 | 82.3 | 77.4 | 81.4 | — | 0.102 | 0.034 | 0.269 | 0.104 | 8.98 | |
| VECMOLDiffvariant=Diffusion2026.03 | 99 | 82.3 | 77.4 | 79.7 | — | 0.073 | 0.033 | 0.269 | 0.054 | 5.01 | |
| GeoLDMNFE=10002024.06 | 98.9 | 99.3 | 61.5 | — | — | — | — | — | — | — | |
| FuncMol2026.03 | 98.8 | 100 | 69.7 | 95.3 | — | 0.245 | 0.109 | 0.052 | 0.003 | 2.49 | |
| GeoLDM2026.03 | 98.7 | 100 | 57.9 | 100 | — | 0.197 | 0.099 | 0.024 | 0.009 | 2.96 | |
| VoxMol2026.03 | 98.1 | 93.4 | 75 | 99.6 | — | 0.254 | 0.033 | 0.024 | 0.002 | 0.64 | |
| EDM2026.03 | 97.8 | 87.8 | 40.3 | 99.9 | — | 0.285 | 0.212 | 0.048 | 0.002 | 6.42 | |
| GCDMNFE=10002024.06 | 89 | — | 5.2 | — | — | — | — | — | — | — | |
| Data2023.05 | 86.5 | 99.9 | — | — | — | — | — | — | — | — | |
| GFMDiffNFE=5002024.06 | 86.5 | — | 3.9 | — | — | — | — | — | — | — | |
| GeoBFNNFE=20002024.06 | 86.2 | 91.7 | 0 | — | — | — | — | — | — | — | |
| GEOLDM2023.05 | 84.4 | 99.3 | — | — | — | — | — | — | — | — | |
| EquiFM2024.06 | 84.1 | 98.9 | 0 | — | — | — | — | — | — | — | |
| MUDiffNFE=10002024.06 | 84 | 98.9 | 60.9 | — | — | — | — | — | — | — | |
| EDM-Bridge2023.05 | 82.4 | 92.8 | — | — | — | — | — | — | — | — | |
| EDM2023.05 | 81.3 | 92.6 | — | — | — | — | — | — | — | — | |
| E-GDM2022.09 | 81.3 | 0 | — | — | — | — | — | — | — | — | |
| EDMNFE=10002024.06 | 81.3 | — | 0 | — | — | — | — | — | — | — | |
| GRAPHLDMData Augmentation=true2023.05 | 79.6 | 98 | — | — | — | — | — | — | — | — | |
| GDMData Augmentation=true2023.05 | 77.7 | 91.8 | — | — | — | — | — | — | — | — | |
| GRAPHLDMData Augmentation=false2023.05 | 76.2 | 97.2 | — | — | — | — | — | — | — | — | |
| GDMData Augmentation=false2023.05 | 75 | 90.8 | — | — | — | — | — | — | — | — | |
| EN-Flow2022.09 | 75 | 0 | — | — | — | — | — | — | — | — | |
| GDM2022.09 | 75 | 0 | — | — | — | — | — | — | — | — | |
| BridgeForce Guidance=false2022.09 | — | 0 | — | — | — | — | — | — | — | — | |
| Bridge + ForceForce Guidance=true2022.09 | — | 0 | — | — | — | — | — | — | — | — |