Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

curve fitting (peak fitting) software

Scientific analysis of nanoscale materials imaging data

🌱 A fast line-by-line code for high-resolution infrared molecular spectra

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

Python module for OceanOptics spectrometers

A Python library of algorithms for the baseline correction of experimental data.

(Legacy project) A modular laboratory experiment management suite, predecessor to qudi-core.

SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python

🌈 A collaborative list of awesome tools for spectroscopy. Also, check:

Spectroscopy lock application using RedPitaya

pyMCR: Multivariate Curve Resolution for Python

Hyperspectral image processing library

Processing and visualization tools for quantitative MRI data

ChiantiPy is a python package to calculate the radiative properties of astrophysical plasmas based on the CHIANTI atomic database

Integrate your chemometric tools with the scikit-learn API 🧪 🤖

library for reading files with x-y data from powder diffraction, spectroscopy, or other experimental methods

Tools for the reduction of spectroscopic observations from Optical and NIR instruments

Bayesian X-ray analysis (nested sampling for Xspec and Sherpa)

Python package for reading Bruker OPUS files.

R functions for the chemometric analysis of spectra

A collection of free educational materials, most of which are interactive or 3D animated. (See README below). You may find inspiration for measurement techniques here. They may improve your comprehension of STEM topics & even writing.

MATLAB toolbox for Electron Paramagnetic Resonance (EPR) spectroscopy

Becquerel is a Python package for analyzing nuclear spectroscopic measurements.

☢️📊 Progressive Web App MCA for gamma spectroscopy including file and live plot support via a serial interface.

An Arduino library for the trifecta of spectral sensors covering 18 discrete wavelengths from NIR to UV.

A collection of tools and examples to improve the functionality of Torch Bearer's spectrometers.

Spectrum encoder and decoder

Tools for dealing with APOGEE data

LLM-powered agents for scientific research automation