A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
AI-agent skill, verified toolkit, clean-room teaching engine, executed book and course for RMCProfile (Reverse Monte Carlo for total scattering)
A CLI tool to generate the pair distribution functions from mixtures of phases.
MATERIA — Rietveld, single-crystal F², magnetic-structure and PDF refinement in the browser on one pure-TypeScript engine, with an in-app AI Agent (42 tools; every change approved and undoable; skills read on demand) and a 40-tool MCP server.
RMCProfile Workbench — browser dashboard for RMCProfile runs: interactive plots, KDE, PCA, 3D structures, symmetry tools, and an AI Copilot that answers by calling 7 analysis tools on local or cloud LLMs.
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