xas

Python software for spectral data processing (IR, Raman, XAS...)

SBTCVM is a virtual machine implementation of a balanced ternary (base 3) computer. Features several compiled languages for ternary software development.

Spectra.jl aims at helping treatment of spectral (Raman, Infrared, XAS, NMR) data under the Julia language

Calculate many-body states of an impurity Anderson model and spectra (e.g. XPS, XAS, RIXS, NIXS)

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

Interface from the RSPt software to the impurityModel spectra repository

Encoder for various XA ADPCM audio formats from Electronic Arts

Percolate allows users to build and use a network of functions.

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

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

Pure-Rust port of XrayDB for elemental X-ray reference data.

Reference XAS spectra dataset and Python access tools for beamline data.

EXAFS fitting using neural networks and PyTorch.

Manual for installing Demeter in Ubuntu 20.04(x64)

Program to analyse XAS data

Notebook-based pipeline for analyzing synchrotron XAS raw data with xraylarch.

Compute RIXS and XAS spectra from orbitally-resolved density of states

Python automation that pulls sample configs from SciCat and generates LabView scan files for X-ray spectroscopy at LBNL's Advanced Light Source.

A flexible and modular Python toolkit for multi-peak curve fitting, parameter management, visualization, and area analysis using scipy.optimize.curve_fit.

End-to-end pipeline for computed X-ray absorption spectra (XAS) from Materials Project, SQLite storage, spectral feature engineering, unsupervised clustering/similarity search, and ML models predicting oxidation state, coordination number, and bond length from spectral shape alone, served through a read-only API.