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xtb-mcp-server

An MCP server that provides tools for generating Extended Tight-Binding (XTB) quantum chemistry input files, enabling AI assistants to automate quantum chemistry calculations and workflows.

Score
75.0062 signals
Evidence
17 stars · 5 forks
Last commit
as last read from GitHub; most reads are from 2 Sep 2026 or later
Listed

Install

No one-command install. Set it up from its source.

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What it is

An MCP server that provides tools for generating Extended Tight-Binding (XTB) quantum chemistry input files, enabling AI assistants to automate quantum chemistry calculations and workflows.

When to use it

An MCP server that provides tools for generating Extended Tight-Binding (XTB) quantum chemistry input files, enabling AI assistants to automate quantum chemistry calculations and workflows.

How to install / invoke

See Glama for the install config.

Notes

Listed from the Glama MCP registry.