Exafs Python Packages

feff10-rs

Rust wrapper for FEFF10 X-ray absorption and electronic structure calculations.

pyxplore

[WPEM / PyWPEM] AI-Driven Structure Refinement of X-ray Diffraction

estrapy

EstraPy is a synchrotron analysis tool, built in Python 3.

fdmnes-mcp

MCP server wrapping FDMNES (X-ray spectroscopy ab-initio code) for natural-language workflows in Claude Code, Claude Desktop, Codex, and other MCP clients