Metadata-Version: 2.4
Name: gnnepcsaft-mcp-server
Version: 0.4.0
Summary: Model Context Protocol server for GNNPCSAFT tools
License: GNU General Public License v3.0
Author: wildsonbbl
Author-email: wil_bbl@hotmail.com
Requires-Python: >=3.10
Classifier: License :: Other/Proprietary License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Requires-Dist: feos (>=0.8.0,<0.9.0)
Requires-Dist: gnnepcsaft (>=0.3)
Requires-Dist: mcp (>=1.6.0,<2.0.0)
Requires-Dist: numpy (>=2.2.4,<3.0.0)
Requires-Dist: onnxruntime (>=1.21.0,<2.0.0)
Requires-Dist: rdkit (>=2024.9.6,<2025.0.0)
Requires-Dist: si-units (>=0.11.0,<0.12.0)
Description-Content-Type: text/markdown

# 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.

## 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

