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

Tidy data structure for infrared spectra and functions to handle and preprocess them.

Automated all-functionals infrared and Raman spectra, and phonons.

Productivity tools for FTIR

Spectral Nexus is a web application for data analysis, spectra classification and visualization.

Automatic extraction of numerical data from a free IR spectra database via integration with WebPlotDigitizer.

Analysis software for hyperspectral scans and spectra acquired in mid-IR photo-induced force microscopy

Functions to analyse mid infrared spectra of peat samples

Code and data for IR spectra recognition. (Part of PhD dissertation)

Prototype algorithm that analyzes and classifies components based on filtered bands in FT-IR spectral data.

WIDEa (Web Interface for Data Exploration) is R-based software aiming to provide users with a range of functionalities to explore, manage, clean and analyse "big" environmental and (in/ex situ) experimental data.

Python script to parse VEDA4 outputs to a simple Excel spreadsheet

The Virtual Characterization Lab (VCL) bridges the gap by producing model-based characterization data that mimics experimental outputs for seamless comparative analysis.