A Model Context Protocol (MCP) server for ORCA quantum chemistry software that provides intelligent tools for generating, validating, and optimizing ORCA input files.
ORCA MCP Server is an MCP project maintained in the phelanshao/orca-mcp-server repository. The maintainer describes its purpose as “A Model Context Protocol (MCP) server for ORCA quantum chemistry software that provides intelligent tools for generating, validating, and optimizing ORCA input files”. Read the project documentation for the complete scope.
The project provides a local client configuration using node. 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.
Check the linked publisher documentation and your connected client's tool list. Names and availability can vary with the server version and account permissions.
| Tool | What it does |
|---|---|
| generate_input_file | |
| validate_input_syntax | |
| suggest_keywords |
{
"mcpServers": {
"orca-mcp-server": {
"command": "node",
"args": [
"path/to/orca-mcp-server/build/index.js"
],
"env": {}
}
}
}From the project documentation. Replace placeholders and example paths before connecting.
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