GNNEPCSAFT MCP Server

Name: GNNEPCSAFT MCP Server
Author: wildsonbbl

@wildsonbbl

代码仓库

关于 GNNEPCSAFT MCP Server

Model Context Protocol server for GNNePCSAFT tools

基本信息

分类

其他

运行时

python

传输方式

stdio

发布者

wildsonbbl

配置

使用下面的配置,将此服务器添加到你的 MCP 客户端。

{
  "mcpServers": {
    "gnnepcsaft": {
      "command": "uvx",
      "args": [
        "--from",
        "gnnepcsaft-mcp-server",
        "gnnepcsaftmcp"
      ]
    }
  }
}

工具

未检测到工具

工具是从 README 中自动提取的。维护者可以在 ## Tools 标题下列出工具,即可填充这部分内容。

概览

What is GNNEPCSAFT MCP Server?

GNNEPCSAFT MCP Server is an implementation of the Model Context Protocol (MCP) for GNNePCSAFT, a tool that uses Graph Neural Networks (GNNs) to estimate ePC-SAFT parameters and predict thermodynamic properties such as density and vapor pressure for any molecule, even without experimental data. It enables seamless communication between large language models (LLMs) and clients for advanced thermodynamic calculations.

How to use GNNEPCSAFT MCP Server?

Install with uvx and start the server using the command uvx --from gnnepcsaft-mcp-server gnnepcsaftmcp. Configuration examples for Claude Desktop are provided in the README.

Key features of GNNEPCSAFT MCP Server

Estimate ePC-SAFT parameters using GNNs
Calculate density, vapor pressure, enthalpy of vaporization, critical points, and others
Support for pure components and mixtures
Automatic data collection from PubChem for any molecule
Designed for thermodynamics-aware LLMs