Atomistic Toolkit

Verified Integration

Author: @spawning•Category: ServerApplication

GitHub Repository

JSON-RPC 2.0

Protocol Standard

Sub-second

Execution Latency

Active

Operational Status

Client Configuration

— Connect Atomistic Toolkit to Claude Desktop or Cursor in seconds

{
  "mcpServers": {
    "atomistic-toolkit": {
      "command": "npx",
      "args": [
        "-y",
        "@modelcontextprotocol/server-atomistic-toolkit"
      ],
      "env": {}
    }
  }
}

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

Architecture & Capabilities

System Overview

Provides atomistic simulation capabilities through ASE, pymatgen, and machine learning interatomic potentials.

Indexed Date

7/22/2026

License

Open Source

Protocol Layer

stdio / SSE RPC

Frequently Asked Questions

Architecture and operational details for Atomistic Toolkit

Atomistic Toolkit leverages powerful libraries like ASE (Atomic Simulation Environment) and pymatgen for its functionalities.

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