"""Validate core files for the PD discovery benchmark repository. The checks are intentionally lightweight so they can run in GitHub Actions without external biomedical API access. """ from __future__ import annotations from pathlib import Path import pandas as pd ROOT = Path(__file__).resolve().parents[1] REQUIRED_FILES = [ "README.md", "DATASET_CARD.md", "CITATION.cff", "LICENSE", "dataset-metadata.json", "dashboard/app.py", "data/pd_discovery_target_benchmark.csv", "data/compound_selectivity_safety_matrix.csv", "data/validated_repurposing_candidates.csv", "data/do_not_prioritise_or_comparator_compounds.csv", "data/experimental_validation_matrix.csv", "data/pd_discovery_benchmark_knowledge_graph.graphml", "data/omics_recurrence/pd_multi_dataset_pathway_recurrence.csv", "figures/benchmark_target_ranking.png", "figures/benchmark_evidence_matrix.png", "figures/compound_selectivity_safety_triage.png", "reports/resource_manuscript_target_to_intervention_benchmark.md", "reproducibility/finalization_claim_audit.csv", ] def require(condition: bool, message: str) -> None: if not condition: raise SystemExit(message) def main() -> None: missing = [path for path in REQUIRED_FILES if not (ROOT / path).exists()] require(not missing, f"Missing required files: {missing}") targets = pd.read_csv(ROOT / "data/pd_discovery_target_benchmark.csv") require({"symbol", "benchmark_consensus_score_0_100", "benchmark_label"}.issubset(targets.columns), "Target benchmark columns are incomplete") require(len(targets) >= 5, "Target benchmark has too few rows") require(targets["benchmark_consensus_score_0_100"].between(0, 100).all(), "Target scores must be 0-100") validated = pd.read_csv(ROOT / "data/validated_repurposing_candidates.csv") require(len(validated) >= 3, "Validated candidate table has too few rows") require("curation_class" in validated.columns, "Validated candidate table lacks curation_class") exclusions = pd.read_csv(ROOT / "data/do_not_prioritise_or_comparator_compounds.csv") require(len(exclusions) >= 10, "Comparator/exclusion table has too few rows") audit = pd.read_csv(ROOT / "reproducibility/finalization_claim_audit.csv") require("clinical guardrail" in set(audit["domain"]), "Claim audit must include clinical guardrail") require(audit["status"].astype(str).str.lower().eq("pass").all(), "One or more claim-audit checks failed") print("PD discovery benchmark validation passed.") if __name__ == "__main__": main()