Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).

A PyMOL plugin for visualizing vibrations in molecules and solids

Vibrations - a Python Code for Anharmonic Theoretical Vibrational Spectroscopy

Python tools for localizing normal modes

Python package for working with spectral data. !!The project has been moved!!

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

Procedures (for IgorPro) to perform operations needed in day to day analysis of spectroscopic data. For example, Raman or infrared spectra where the data is structured as array of 1-D or 2-D waves.

Jupyter notebooks for probabilistic modelling of vibrational spectroscopic datasets

This is a code for generating empirical maps from molecular dynamics simulations (and electronic structure calculations).

SI documentation for the journal article entitled, "Exploring the anharmonic vibrational structure of CO2 trimers."

Simulates the vibrational spectra of organic molecules such as amino acids, peptides, or nucleic acids using PyVib2's vibrational perturbation theory algorithm with a DFT potential energy surface. Analyzes the vibrational spectra and investigates the effects of different functional groups and conformations.

The Solvshift Project (SLV)