| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| QM9 (test) | GeoLDM | Validity100 | 64 | 24d ago | |
| QM9 unconditional generation | Atom Stability99.1 | 33 | 1mo ago | ||
| GEOM-DRUG (test) | MiDi | Atom Stability (%)99.8 | 29 | 1mo ago | |
| GEOM-Drugs | CanonFlow w/ OT anneal | Atom. Stability99.9 | 27 | 1mo ago | |
| QM9 | GODD | P (0 rings)99.9 | 13 | 1mo ago | |
| QM9 | END | TV (A)0.9 | 11 | 1mo ago | |
| GEOM-DRUG (above 11 rings) | GODD | P Score13.8 | 10 | 1mo ago | |
| GEOM-DRUG unconditional generation | Atom Stability86.5 | 6 | 1mo ago | ||
| QM9 with h | Ours | Validity99.8 | 4 | 4d ago | |
| GEOM with h | BWFlow | Mean Value (μ)1.2 | 3 | 1mo ago | |
| QM9 | EDM | JS-Div0.0002 | 3 | 1mo ago | |
| 3D Molecule Design (test) | EQGAT-diff | Validity99.8 | 2 | 1mo ago |
