gnnepcsaft-mcp-server

内容来源：README.md（说明文档） · 原始地址 · 查看安装指南

原始内容

# GNNPCSAFT MCP Server

GNNPCSAFT MCP Server is an implementation of the [Model Context Protocol (MCP)](https://modelcontextprotocol.io/introduction) for [GNNPCSAFT](https://github.com/wildsonbbl/gnnepcsaft) tools. GNNPCSAFT leverages Graph Neural Networks (GNNs) to estimate [PC-SAFT](https://en.wikipedia.org/wiki/PC-SAFT) pure-component parameters, allowing property predictions such as density and vapor pressure for any molecule or mixture. [FeOs](https://github.com/feos-org/feos) is used for PC-SAFT calculations.

Other implementations with GNNPCSAFT:

- [GNNPCSAFT CLI](https://github.com/wildsonbbl/gnnepcsaftcli)
- [GNNPCSAFT APP](https://github.com/wildsonbbl/gnnpcsaftapp)
- [GNNPCSAFT Webapp](https://github.com/wildsonbbl/gnnepcsaftwebapp)
- [GNNPCSAFT Chat](https://github.com/wildsonbbl/gnnpcsaftchat)

## How to Use

### Installation

You need [uvx](https://docs.astral.sh/uv/) installed.

### Starting the Server

```bash
uvx --from gnnepcsaft-mcp-server gnnpcsaftmcp
```

### Example: Claude Desktop Configuration

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

---

## License

GNU General Public License v3.0

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