Python Ase

MCP Server

by jkitchin · Added 5mo ago

Claude
14

Install

git clone https://github.com/jkitchin/skillz

Add to Claude

claude mcp add python-ase

Quick Setup Config

Copy & paste ready

~/Library/Application Support/Claude/claude_desktop_config.json (macOS) %APPDATA%\Claude\claude_desktop_config.json (Windows)

{
  "mcpServers": {
    "python-ase": {
      "command": "npx",
      "args": [
        "@modelcontextprotocol/python-ase"
      ]
    }
  }
}

Paste into your Claude Desktop config file, then restart Claude.

About

Expert assistance with the Atomic Simulation Environment (ASE) Python library for atomistic simulations, including structure building, calculator setup, optimization, dynamics, and analysis

Tags

documentspythongotestingdebuggingskill

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