xraydb-mcp-server

# XrayDB MCP Server Prototype of a Model Context Protocol (MCP) server that provides access to X-ray properties of elements via the [XrayDB](https://github.com/xraypy/XrayDB) library. # Installation ## Using [uv](https://github.com/astral-sh/uv) Cool is that this repo/server has only 2 `pip` installable dependencies: - `mcp` for the protocol - `xraydb` for the tool usage You can install the dependencies in a virtual environment using [uv] and pip: ```sh uv venv uv pip install -r requirements.txt ``` ## Running the MCP Server After installing the dependencies, you can start the MCP server with: ```sh uv run </path/to/dir>/src/server.py ``` If you like to start the server using the `startup.bat` or `startup.sh` scripts, make sure the script is executable. Make the script executable (if needed) and run it for Linux or MacOS: ```sh chmod +x startup.sh ``` This will launch the server and make the XrayDB endpoints available via the MCP protocol. You can add it now in your favorite IDE. Highly recommend [goose](https://block.github.io/goose/). # Collaborate Please feel free to open a PR or issue. # So far implemented: 1. `xray_edges` – Get X-ray absorption edges for an element. 2. `xray_edge` – Get data for a specific X-ray absorption edge. 3. `guess_edge` – Guess element and edge from energy. 4. `atomic_number` – Return atomic number for an element. 5. `atomic_density` – Return atomic density for an element. 6. `mirror_reflectivity` – Calculate reflectivity for a single-layer mirror. 7. `multilayer_reflectivity` – Calculate reflectivity for a multilayer mirror stack. 8. `material_mu` – Get X-ray attenuation length for a material. 9. `chantler_energies` – List Chantler tabulated energies for an element. 10. `f0` – Get elastic X-ray scattering factor for an ion. 11. `f0_ions` – List supported ions for f0 calculation. 12. `chantler_data` – Get data from Chantler tables for an element and energy. 13. `f1_chantler` – Get real part of anomalous scattering factor (f1) from Chantler. 14. `f2_chantler` – Get imaginary part of anomalous scattering factor (f2) from Chantler. 15. `mu_chantler` – Get mass attenuation coefficient (mu/rho) from Chantler tables. 16. `lambert_beer` – Calculate X-ray transmission using Lambert-Beer law. 17. `mu_elam` – Get mass attenuation coefficient from Elam tables. 18. `coherent_cross_section_elam` – Get coherent scattering cross-section from Elam. 19. `incoherent_cross_section_elam` – Get incoherent scattering cross-section from Elam. 20. `xray_lines` – List X-ray emission lines for an element. 21. `xray_line` – Get data for a specific X-ray emission line. 22. `coated_reflectivity` – Calculate reflectivity for a coated mirror. 23. `ionchamber_fluxes` – Calculate ion chamber and PIN diode fluxes. 24. `dynamical_theta_offset` – Calculate angular offset from Bragg diffraction. 25. `transmission_sample` – Analyze transmission mode sample composition. 26. `formula_to_mass_fracs` – Calculate mass fractions from a formula. 27. `mass_fracs_to_molar_fracs` – Convert mass fractions to molar fractions. 28. `validate_mass_fracs` – Validate and normalize mass fractions.