3D Molecular Generation on GEOM-Drugs
0Bond Length ErrorData
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| Data2026.05 | 0 | 0 | 0 | 0 | 0 | |
| EBMolNFE=7240, Number of Parameters=2.2M2026.05 | 0.65 | 0.62 | 3.65 | 5.27 | 1.78 | |
| MegalodonNFE=500, Number of Parameters=40.6M2026.05 | 0.66 | 0.71 | 5.58 | 5.76 | 3.19 | |
| EBMolNFE=3720, Number of Parameters=2.2M2026.05 | 0.83 | 0.81 | 4.56 | 10.36 | 2.35 | |
| MMFF → GFN2-xTB2026.05 | 1.12 | 1.22 | 4.89 | 11.4 | 9.84 | |
| EBMolNFE=1960, Number of Parameters=2.2M2026.05 | 1.22 | 1.19 | 6.53 | 26.13 | 4.12 | |
| FlowMolNFE=2100, Number of Parameters=4.3M2026.05 | 1.3 | 1.62 | 15 | 24.3 | 17.9 | |
| SLDMNFE=1000, Number of Parameters=4.2M2026.05 | 1.66 | 1.34 | 10.07 | 23.77 | 17.9 | |
| EBMolNFE=1080, Number of Parameters=2.2M2026.05 | 1.77 | 1.67 | 8.46 | 40.77 | 6.67 | |
| GEOLDMNFE=1000, Number of Parameters=2.2M2026.05 | 3.2 | 3.9 | 24.51 | 99.25 | 80.13 | |
| EDMNFE=1000, Number of Parameters=2.2M2026.05 | 5.26 | 5.73 | 30.82 | 175.34 | 155.58 |