Spectra data handling in Python

Natural Products-Based Drug Discovery

ANOVA-Simultaneous Component Analysis

A mirror and a fork of PyChem

A tool for to develop mathematical models with chemometrics data

An lib with a set of tools that can be used in chemometrics analysis

A Minimalistic Automatic Framework for Chemometrics and Machine Learning

Analyzing thin-layer chromatography (TLC) chromatograms

Implementation of PLS-DA and OPLS-DA for high dimensional data, like MS in metabolomics.

(Multiblock) Partial Least Squares Regression for Python

Python library for chemometric data analysis

Code for performing various projection pursuit routines

pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets

Deprecated open-source Python project to analyze HPLC–DAD raw data.

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

My collection of implementations of adaptive filters.

A Python 3 implementation of orthogonal projection to latent structures

Explorative multivariate statistics in Python