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.

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

Interface from the RSPt software to the impurityModel spectra repository

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

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

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

Program to analyse XAS data

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

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.

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

Allow the import, normalisation, centring and merging of XAS/XMCD spectra from DEIMOS-SOLEIL beamline to automatically apply sum rules. One scan number to give (with a Tz parameter without incidence on calculations), the next 7 should be the same sample with +/-H and circular right (CR) and left (CL).

DecomNano is a heterogeneity analysis of bimetallic nanoparticles using coordination numbers obtained from XAS analysis.

Oxidation-state classification from K-edge XANES across 8 transition metals: 1D-CNN ensemble + temperature scaling + per-element GBDT/stack comparison.

Remove Bragg peaks from XAS spectra using IBR-AIC for transmission and fluorescence measurements.

Python wrapper for simplifying XAS analysis workflows.

Python tool for rebinning raw XAS data.

Allow the import, normalisation, centring and merging of hysteresis cycles from DEIMOS-SOLEIL. One scan number to give (with a Tz parameter without incidence on calculations), return Hc, H, TEY and Fluo cycles. The two scans must be successive. One in one direction, the other in the opposite direction.

Utility scripts for XAFS/XANES workflows, including NN-XANES helpers and XYZ-to-FEFF conversion.

Python package for aligning XAS spectra.