Rdkit Chemical Informatics
BasicThe Rdkit Chemical Informatics project integrates the RDKit library with the MCP framework to provide advanced chemical informatics tools. It includes functionalities for molecular visualization, descriptor calculation, and interaction with an MCP server.
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Overview
The Rdkit Chemical Informatics project integrates the RDKit library with the MCP framework to provide advanced chemical informatics tools. It includes functionalities for molecular visualization, descriptor calculation, and interaction with an MCP server.
Installation
1Install the package
npx
pip install mcp_rdkit2Add to Claude
Add this configuration to your claude_desktop_config.json:
claude_desktop_config.json
{
"mcpServers": {
"rdkit-chemical-informatics": {
"command": "npx",
"args": [
"-y",
"pip install mcp_rdkit"
]
}
}
}3Verify installation
Restart Claude Desktop, then ask:
"What tools do you have available from Rdkit Chemical Informatics?"
Prerequisites
- Node.js 18 or higher
- npm or npx available
- Claude Desktop or Claude API access
Configuration
No configuration required. This server works out of the box.
Usage Examples
List Resources
"What resources are available in Rdkit Chemical Informatics?"
Claude will query available resources and return a list of what you can access.
Get Details
"Show me details about [specific item] in Rdkit Chemical Informatics"
Claude will fetch and display detailed information about the requested item.
Create New
"Create a new [item] in Rdkit Chemical Informatics with [details]"
Claude will use the appropriate tool to create the resource and confirm success.
Works with Rdkit Chemical Informatics
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