{
  "paper_doi": "10.48550/arXiv.2509.18480",
  "paper_title": "SimpleFold: Folding Proteins is Simpler than You Think",
  "model_name": "simplefold-100m",
  "apple_silicon_path": "native_mlx",
  "recipe": {
    "paper_doi": "10.48550/arXiv.2509.18480",
    "paper_title": "SimpleFold: Folding Proteins is Simpler than You Think",
    "paper_year": 2025,
    "headline_metric": {
      "name": "engineering_smoke_median_lddt",
      "value": 0.9694790633021089,
      "tolerance_pct": 15,
      "units": "lDDT"
    },
    "data_sources": [
      "pilot/data/test_set_v0.csv",
      "RCSB PDB reference structures"
    ],
    "models": [
      {
        "name": "simplefold-100m",
        "code_url": "https://github.com/apple/ml-simplefold",
        "apple_silicon_path": "native_mlx"
      }
    ],
    "evaluation_set": [
      "1L2Y",
      "1CRN",
      "1UBQ"
    ],
    "evaluation_metric": "lDDT",
    "quotes": [
      {
        "field": "fixture_scope",
        "text": "ENGINEERING_FIXTURE_NOT_PAPER_CLAIM: this recipe is for golden-path smoke testing only. Publication-grade SimpleFold claims must be extracted from the paper PDF by the Reader and reviewed before use."
      },
      {
        "field": "paper_url",
        "text": "SimpleFold: Folding Proteins is Simpler than You Think. arXiv:2509.18480."
      }
    ]
  },
  "predictions": [
    {
      "target_pdb_id": "1L2Y",
      "model": "simplefold-100m",
      "ok": true
    },
    {
      "target_pdb_id": "1CRN",
      "model": "simplefold-100m",
      "ok": true
    },
    {
      "target_pdb_id": "1UBQ",
      "model": "simplefold-100m",
      "ok": true
    }
  ],
  "scores": [
    {
      "target_pdb_id": "1L2Y",
      "lddt": 0.9694790633021089,
      "ok": true
    },
    {
      "target_pdb_id": "1CRN",
      "lddt": 0.9694790633021089,
      "ok": true
    },
    {
      "target_pdb_id": "1UBQ",
      "lddt": 0.9694790633021089,
      "ok": true
    }
  ],
  "validation": {
    "within_tolerance": true,
    "reproduction_status": "successful_prediction",
    "diagnosis": "Deterministic fixture median lDDT 0.969 vs fixture value 0.969 = 0.00% relative error.",
    "aggregated_value": 0.9694790633021089,
    "published_value": 0.9694790633021089,
    "relative_error_pct": 0,
    "reviewer_notes": "Fixture validation is an engineering smoke test, not a paper claim."
  },
  "audit_log_entries": 78,
  "generated_at": "2026-05-13T09:40:38.797Z"
}