Content
# 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
You Might Also Like
MarkItDown MCP
Converting files and office documents to Markdown.
Time
Obtaining current time information and converting time between different...
Filesystem
Model Context Protocol Servers
Sequential Thinking
Offers a structured approach to dynamic and reflective problem-solving,...
Git
Model Context Protocol Servers
Context 7
Context7 MCP Server -- Up-to-date code documentation for LLMs and AI code editors