GNNPCSAFT Server

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Enables estimation of PC-SAFT pure-component parameters and prediction of properties like density and vapor pressure for any molecule or mixture using Graph Neu

автор: wildsonbbl

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Описание

Enables estimation of PC-SAFT pure-component parameters and prediction of properties like density and vapor pressure for any molecule or mixture using Graph Neural Networks.

README

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

from github.com/wildsonbbl/gnnepcsaft_mcp_server

Установка GNNPCSAFT Server

У этого сервера нет опубликованного пакета — он собирается из исходников. Открой репозиторий и следуй инструкции в README.

▸ github.com/wildsonbbl/gnnepcsaft_mcp_server

FAQ