from __future__ import annotations from typing import Dict, Sequence def extract_simple_interface_features(parsed_results: Sequence[Dict[str, float | str]]) -> list[dict[str, float]]: """Generate coarse interface-like descriptors from docking results.""" features: list[dict[str, float]] = [] for row in parsed_results: score = float(row.get("docking_score", row.get("score", 0.0))) features.append( { "interface_contact_proxy": max(0.0, -score / 10.0), "hbond_proxy": max(0.0, -score / 20.0), "shape_proxy": max(0.0, -score / 15.0), } ) return features