GNNPCSAFT MCP Server

GNNPCSAFT MCP Server is an implementation of the Model Context Protocol (MCP) for GNNPCSAFT tools. GNNPCSAFT leverages Graph Neural Networks (GNNs) to estimate PC-SAFT pure-component parameters, allowing property predictions such as density and vapor pressure for any molecule or mixture. FeOs is used for PC-SAFT calculations.

Other implementations with GNNPCSAFT:

• GNNPCSAFT CLI

• GNNPCSAFT APP

• GNNPCSAFT Webapp

• GNNPCSAFT Chat

How to Use

Installation

You need uvx installed.

Starting the Server

uvx --from gnnepcsaft-mcp-server gnnpcsaftmcp

Example: Claude Desktop Configuration

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

Related MCP server: MolMIM MCP Server

License

GNU General Public License v3.0