compound_search

This script provides functions for searching and retrieving compound information from PubChem using the PubChemPy library.

Skills
Scientific
0

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.
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Install (Claude Code)

mkdir -p .claude/skills/compound-search && curl -fsSL https://doutorai.pt/data/lib/skills__compound-search.md -o .claude/skills/compound-search/SKILL.md

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

Content

#!/usr/bin/env python3
"""
PubChem Compound Search Utility

This script provides functions for searching and retrieving compound information
from PubChem using the PubChemPy library.
"""

import sys
import json
from typing import List, Dict, Optional, Union

try:
    import pubchempy as pcp
except ImportError:
    print("Error: pubchempy is not installed. Install it with: pip install pubchempy")
    sys.exit(1)


def search_by_name(name: str, max_results: int = 10) -> List[pcp.Compound]:
    """
    Search for compounds by name.

    Args:
        name: Chemical name to search for
        max_

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