skills/diffdock/scripts/analyze_results.py

• parse_confidence_scores · function · L23-L50 — def parse_confidence_scores(results_dir)
• parse_single_complex · function · L53-L88 — def parse_single_complex(complex_dir)
• extract_confidence_score · function · L91-L134 — def extract_confidence_score(sdf_file, complex_dir)
• classify_confidence · function · L137-L146 — def classify_confidence(score)
• print_summary · function · L149-L219 — def print_summary(results, top_n=None, min_confidence=None)
• export_to_csv · function · L222-L245 — def export_to_csv(results, output_path)
• get_top_predictions · function · L248-L264 — def get_top_predictions(results, n=10, sort_by='confidence')
• print_top_predictions · function · L267-L280 — def print_top_predictions(results, n=10)
• main · function · L283-L342 — def main()