Xanes Python Packages

rexafs

Fast Rust implementation of core xraylarch workflows for large XAS/XAFS datasets.

feff10-rs

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

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

estrapy

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

mrfitty

Linear least-squares fitting for XANES data.