paucablop/chemotools

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

A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities

Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.

Deep Learning models applied to the analysis of VIS-NIR spectral data

Scikit-learn compatible library for molecular fingerprints and chemoinformatics

A deep learning toolkit for mass spectrometry

A Python package for working with electrochemical impedance data

Read chromatography and mass spectrometry binary files.

FAIR Chemistry's library of machine learning methods for chemistry