GNNEPCSAFT MCP Server

@wildsonbbl

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基本信息

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其他

传输方式

stdio

作者

wildsonbbl

关于 GNNEPCSAFT MCP Server

Model Context Protocol server for GNNePCSAFT tools

GNNEPCSAFT MCP Server 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"
      ]
    }
  }
}

GNNEPCSAFT MCP Server 工具

工具列表暂未提供

当前收录暂时没有可展示的工具列表，不代表服务没有工具。请查阅项目文档了解支持的能力。

点击上方按钮,在临时沙箱中运行此服务器并实时获取工具列表。

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

Use cases of GNNEPCSAFT MCP Server

Predicting thermodynamic properties for new or existing molecules
Running property calculations for mixtures in research or industry
Integrating with LLMs for chemistry and materials science applications
Automating data collection and property estimation in pipelines

常见问题

What do I need to run the server?

You need Python, uvx, and the GNNEPCSAFT MCP Server package.

Can I use this for mixtures as well as pure components?

Yes, the server supports both pure components and mixtures.

Where does the molecular data come from?

The server can automatically fetch molecular information from PubChem.

What calculations are supported?

Density, vapor pressure, enthalpy of vaporization, critical points, and ePC-SAFT parameter estimation.

Is this open source?

Yes, it is licensed under the GNU General Public License v3.0.

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