from dataclasses import dataclass from typing import Dict, Any, List @dataclass class ScoreResult: score: float details: Dict[str, Any] def score(sample: Dict[str, Any], prediction: str) -> ScoreResult: p = (prediction or "").lower() words_ok = len(p.split()) <= 750 has_recipe = "recipe" in p or "protocol" in p or "package" in p has_alignment = "constraint" in p or "alignment" in p or "break" in p has_softening = "soften" in p or "basin" in p or "trajectory" in p has_stability = "stability" in p or "perturb" in p or "fails if" in p has_tox = "tox" in p or "safety" in p or "risk" in p has_validation = "trial" in p or "endpoint" in p or "validate" in p raw = ( 0.15 * int(words_ok) + 0.20 * int(has_recipe) + 0.20 * int(has_alignment) + 0.15 * int(has_softening) + 0.15 * int(has_stability) + 0.05 * int(has_tox) + 0.10 * int(has_validation) ) return ScoreResult(score=min(1.0, raw), details={"id": sample.get("id")}) def aggregate(results: List[ScoreResult]) -> Dict[str, Any]: if not results: return {"mean": 0.0, "n": 0} return {"mean": sum(r.score for r in results)/len(results), "n": len(results)}