The XTB MCP Server is a Model Context Protocol (MCP) server that provides comprehensive tools for generating Extended Tight-Binding (XTB) quantum chemistry calculation input files. This server…
XTB MCP Server / XTB MCP 服务器 is an MCP project maintained in the phelanshao/xtb-mcp-server repository. The maintainer describes its purpose as “The XTB MCP Server is a Model Context Protocol (MCP) server that provides comprehensive tools for generating Extended Tight-Binding (XTB) quantum chemistry calculation input files…”. Read the project documentation for the complete scope.
The project provides a local client configuration using python. Follow the repository’s build and installation steps before copying it, and replace example paths with the paths on your own computer.
Project documentation · Repository · Discovery listing. This profile records the public documentation checked on 2026-10-08.
{
"mcpServers": {
"xtb-mcp-server": {
"command": "python",
"args": [
"path/to/xtb-mcp-server/main.py"
],
"env": {}
}
}
}From the project documentation. Replace placeholders and example paths before connecting.
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