wildsonbbl/gnnepcsaft_mcp_server
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GNNEPCSAFT MCP Server is an implementation of the Model Context Protocol (MCP) for GNNePCSAFT tools, enabling seamless communication and context management between large language models (LLMs) and clients for advanced thermodynamic calculations.
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:
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"]
}
}
}
License
GNU General Public License v3.0
