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

Unofficial Python tools for querying NIST Chemistry WebBook pages and extracting molecular-property records.

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

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

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

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

Productivity tools for FTIR

Functions to analyse mid infrared spectra of peat samples

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

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

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

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

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