CDK Pywrapper
Verified IntegrationClient Configuration
— Connect CDK Pywrapper to Claude Desktop or Cursor in seconds{
"mcpServers": {
"cdk-pywrapper": {
"command": "npx",
"args": [
"-y",
"@modelcontextprotocol/server-cdk-pywrapper"
],
"env": {}
}
}
}~/Library/Application Support/Claude/claude_desktop_config.json (macOS) or %APPDATA%\Claude\claude_desktop_config.json (Windows).System Overview
Enables Large Language Models to interact with cheminformatics functionalities, performing tasks like compound identification, structure conversion, and property calculation.
7/21/2026
Open Source
stdio / SSE RPC
Frequently Asked Questions
Architecture and operational details for CDK Pywrapper
CDK Pywrapper is a Python wrapper for the Chemistry Development Kit (CDK), enabling Python users and Large Language Models (LLMs) to interact with cheminformatics functionalities for chemical compound analysis and data processing.
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