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2025-03-20

通过ASE,Pymatgen等提供原子模拟功能的MCP兼容服务器。

3 years

Works with Finder

1

Github Watches

2

Github Forks

7

Github Stars

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)

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    Reviews

    1 (1)
    Avatar
    user_NN5ycori
    2025-04-15

    I have been using the BICScan MCP Server from ahnlabio, and it has truly transformed our data management processes. The interface is user-friendly, and the performance is exceptional. For anyone looking for a reliable MCP application, this is a fantastic choice. Highly recommended!