analyze_results

This script analyzes DiffDock prediction results, extracting confidence scores, ranking predictions, and generating summary reports.

Skills
Scientific
3

What it does and how to use it

A skill that teaches Claude Code to do scientific tasks well. It is packaged knowledge the model uses whenever it is relevant.

Install the skill (command above).
In Claude Code, describe what you need - the skill turns on by itself when the context fits.
No commands to memorize: you talk in plain language and the skill does the rest.

Install (Claude Code)

mkdir -p .claude/skills/analyze-results && curl -fsSL https://doutorai.pt/data/lib/skills__analyze-results.md -o .claude/skills/analyze-results/SKILL.md

Paste this command into the terminal, in your project folder, and the component installs automatically.

Content

#!/usr/bin/env python3
"""
DiffDock Results Analysis Script

This script analyzes DiffDock prediction results, extracting confidence scores,
ranking predictions, and generating summary reports.

Usage:
    python analyze_results.py results/output_dir/
    python analyze_results.py results/ --top 50 --threshold 0.0
    python analyze_results.py results/ --export summary.csv
"""

import argparse
import os
import sys
import json
from pathlib import Path
from collections import defaultdict
import re


def parse_confidence_scores(results_dir):
    """
    Parse confidence scores from DiffDock outpu

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