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# Atomistic Toolkit MCP Server
> [!NOTE]
> This project is under active development. Not everything is working yet.
An MCP-compatible server providing atomistic simulation capabilities through ASE, pymatgen, and machine learning interatomic potentials (MLIPs).
## Features
### ASE Tools
- Structure creation and manipulation
- Geometry optimization
- File I/O operations (read/write structures)
Connection Info
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