Metadata-Version: 2.4
Name: grandmofty-mcp
Version: 0.2.4
Summary: MCP server for querying Metal-Organic Framework databases
Project-URL: Homepage, https://github.com/retospect/grandmofty-mcp
Project-URL: Repository, https://github.com/retospect/grandmofty-mcp
Author-email: Reto Stamm <reto@retostamm.com>
License-Expression: GPL-3.0-or-later
License-File: LICENSE
Keywords: chemistry,database,materials-science,mcp,mof
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Requires-Python: >=3.11
Requires-Dist: chemdb-common>=0.1.0
Requires-Dist: mcp>=1.0
Requires-Dist: mofdb-client>=0.9
Provides-Extra: postgres
Requires-Dist: psycopg[binary]>=3.0; extra == 'postgres'
Description-Content-Type: text/markdown

# grandmofty-mcp

MCP server for querying Metal-Organic Framework (MOF) databases. Exposes MOF properties, isotherms, and structural data via the Model Context Protocol.

## Features

- **MOF search** — query by name, topology, metal type, pore properties
- **Multi-database** — CoRE-2014, CoRE-2019, CoRE-2025, IZA, PCOD
- **Isotherm data** — gas adsorption isotherms
- **SQLAlchemy backend** — SQLite (default) or PostgreSQL
- **MCP protocol** — compatible with any MCP-aware LLM client

## Installation

```bash
uv pip install -e .
# With PostgreSQL support:
uv pip install -e ".[postgres]"
```

## Usage

```bash
grandmofty-mcp   # starts the MCP server
```

## Dependencies

- **chemdb-common** — shared database models and CLI
- **mcp** — Model Context Protocol server framework
- **mofdb-client** — client for MOF database APIs

## License

GPL-3.0-or-later — see [LICENSE](LICENSE).
