GNNEPCSAFT MCP Server

@wildsonbbl

About GNNEPCSAFT MCP Server

Model Context Protocol server for GNNePCSAFT tools

Config

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

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

Tools

No tools detected

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

FAQ from GNNEPCSAFT MCP Server

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.

Frequently asked questions

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.

Comments

Basic information

More Other MCP servers

Lemon.io

lemon-io

Request dedicated senior developers to work on your project, write job descriptions, and prep technical interviews — all without leaving your Claude chat. Just describe what you need, and Lemon.io MCP does the rest. 1–3