GEOM-DRUG
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| 3D Molecule Generation | GEOM-DRUG (test) | Atom Stability (%)99.8 | 29 | |
| 3D Molecule Generation | GEOM-DRUG (above 11 rings) | P Score13.8 | 10 | |
| Unconditional Macrocycle Generation | GEOM-Drug 1000 molecules 30 heavy atoms | Validity99.4 | 7 | |
| Unconditional generation | Geom-Drug (test) | AS89.6 | 6 | |
| 3D Molecule Generation | GEOM-DRUG unconditional generation | Atom Stability86.5 | 6 |
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