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GNNEPCSAFT MCP Server

@wildsonbbl

Repository

Basic information

Category

Other

Transports

stdio

Author

wildsonbbl

About GNNEPCSAFT MCP Server

Model Context Protocol server for GNNePCSAFT tools

GNNEPCSAFT MCP Server config

Add this server to your MCP-compatible client using the configuration below.

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

GNNEPCSAFT MCP Server tools

Tool list not available yet

This listing does not currently have a tool list to display. This does not mean the server has no tools; check its documentation for supported capabilities.

Fetch the live tool list by running this server in a temporary sandbox using the button above.

Overview

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

Frequently asked questions

1

What do I need to run the server?

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

2

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

Yes, the server supports both pure components and mixtures.

3

Where does the molecular data come from?

The server can automatically fetch molecular information from PubChem.

4

What calculations are supported?

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

5

Is this open source?

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

Comments

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