mcp-atomictoolkit

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An MCP-compatible server providing atomistic simulation capabilities through ASE, pymatgen, etc.

11 stars PythonOthers Updated Apr 23, 2026

No README could be loaded. View the project on GitHub for full documentation.

Frequently asked questions

What is mcp-atomictoolkit?

mcp-atomictoolkit is An MCP-compatible server providing atomistic simulation capabilities through ASE, pymatgen, etc.

How do I install mcp-atomictoolkit?

Open the GitHub repository and follow its README. Most MCP servers are added to your client's MCP config, then called by your agent.

Is mcp-atomictoolkit open source?

Yes — it is hosted on GitHub at https://github.com/XirtamEsrevni/mcp-atomictoolkit and has 11 stars.

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