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c289d87 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 | 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
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