{
  "domain": "chemistry-materials",
  "topics": [
    "molecular-design"
  ],
  "type": "design",
  "benchmark": {
    "task": "Maximise the isomers_c9h10n2o2pf2cl oracle within 10,000 calls",
    "metric": {
      "name": "AUC top-10 (10,000-call budget)",
      "better": "higher"
    },
    "baseline": {
      "name": "Best in the PMO paper (SMILES GA)",
      "score": 0.86
    }
  },
  "source": {
    "key": "pmo",
    "name": "PMO (Practical Molecular Optimization)",
    "url": "https://github.com/wenhao-gao/mol_opt",
    "id": "isomers_c9h10n2o2pf2cl",
    "curator": "Wenhao Gao, Tianfan Fu, Jimeng Sun and Connor W. Coley",
    "poser": "Wenhao Gao, Tianfan Fu, Jimeng Sun and Connor W. Coley",
    "status": "open benchmark, accepting new methods",
    "as_of": "2026-10-20",
    "catalog": "0521c19bbd38"
  }
}