| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| QM9 (test) | Validity100 | 54 | 13d ago | ||
| GuacaMol | MOLER | Validity100 | 30 | 23d ago | |
| GEOM-DRUG (test) | FlashMol | Atom Stability (%)89.98 | 16 | 23d ago | |
| GuacaMol SMILES (test) | Validity100 | 10 | 1d ago | ||
| QM9 implicit hydrogens (80/10/10) | JT-VAE | Validity1 | 8 | 3mo ago | |
| PCBA MoleculeNet (test) | Validity100 | 7 | 13d ago | ||
| MUV MoleculeNet (test) | Validity100 | 7 | 13d ago | ||
| HIV MoleculeNet (test) | Validity100 | 7 | 13d ago | ||
| MOSES SF (test) | JT-VAE | Validity100 | 6 | 3mo ago | |
| QM9 explicit hydrogens (test) | Molecular Stability98.7 | 6 | 3mo ago | ||
| QM9 with explicit hydrogens | VQ-SAD | Validity97.31 | 4 | 1mo ago | |
| ZINC250k | VQ-SAD | Validity93.84 | 4 | 1mo ago | |
| GEOM | MoleculeJAE | Mol Stability Score84.5 | 3 | 3mo ago |
