MOFi

MOFi tools

mofi-tools provides a local Model Context Protocol server for MOFi's bounded scientific tools. The unrelated PyPI package named mofi is not this project.

Install from PyPI

python -m pip install mofi-tools==0.1.0mofi-tools catalogmofi-mcp

With uv, run the stdio server using uvx --from mofi-tools==0.1.0 mofi-tools serve. The public MCP Registry identity is io.github.harrisonmo/mofi; its package metadata is maintained in the repository's server.json.

Install from source

Python 3.12 or newer is required:

python -m pip install ./packages/mofi-toolsmofi-tools catalogmofi-tools query --arguments '{"name_contains":"QMOF"}'mofi-mcp

The standalone profile provides mof_database_catalog, mofi_tool_catalog, and the mofi://catalog resource. It bundles the byte-pinned CSV and reviewed sidecar. The table is unverified survey metadata, not MOF structures or reference labels. No model login, model call, engine installation or GPU is needed for this profile.

Scientific workspace

Point the installed server at a separately prepared MOFi source checkout:

mofi-mcp --workspace /path/to/MOFi \  --science-python /path/to/science-environment/bin/python \  --hub-config configs/science-hub.json --session runs/mcp-client

Only configured and available hub tools are advertised. The adapter reuses the hub's schemas, scientific validation, scheduler, budget reservations and evidence ledgers. The science interpreter needs the workspace's scientific dependencies; Crystal-Builder, ARIA and external engines are not bundled in this package. Give each client a separate session directory. Tool calls may run calculations within the operator's configured budget; catalog inspection makes no model calls.

Standard output carries MCP messages only. Diagnostics and engine output use standard error. Native jobs keep the hub's existing interruption accounting; a client timeout does not prove that a calculation stopped or refund its budget.

See MCP setup and packaging for Codex, Claude Code, Claude Desktop, building and release steps.

Original code uses Apache-2.0; see LICENSE and NOTICE. Scientific dependencies retain their own licenses. No credentials, model weights, engine binaries, development records or scientific run output are part of the distribution.