Pls Python Packages

cca-zoo

Multiview CCA methods in a scikit-learn style framework

nirs4all

A comprehensive Python library for Near-Infrared Spectroscopy (NIRS) data analysis with ML/DL pipelines.

ikpls

Fast CPU and GPU Python implementations of Improved Kernel Partial Least Squares (PLS) by Dayal and MacGregor (1997) and Fast Partition-Based Cross-Validation With Centering and Scaling for XTX and XTY by Engstrøm and Jensen (2025). This package also includes options to use sample weights for PLS modeling.

cvmatrix

Computation of training set (X^T * W * X) and (X^T * W * Y) or (X^T * X) and (X^T * Y) in a cross-validation setting using the fast algorithms by Engstrøm and Jensen (2025).

pychemometrics

pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets

chemometrics

Python library for chemometric data analysis

pls-cli

Minimalist and full configurable greetings and TODO list

mamsi

The Multi-assay Mass Spectrometry Integration Project

pdstoolkit

A Python package to facilitate building process data science solutions including process modeling, monitoring, fault diagnosis, etc.

wai-ma

Python library of 2-dimensional matrix algorithms.

sparse-pls

Sparse Partial Least Squares (Sparse PLS) Regression is a Python-based model that integrates dimensionality reduction with variable selection, enabling interpretable analysis of high-dimensional datasets.