chemometrics topic

pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets

Gscorreia89

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

paucablop

Python implementation of domain-invariant partial least squares regression (di-PLS)

B-Analytics

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

HaasCP

(Multiblock) Partial Least Squares Regression for Python

DTUComputeStatisticsAndDataAnalysis

resemble is an R package which implements functions dedicated to non-linear modelling of complex spectroscopy data

l-ramirez-lopez

A Python 3 implementation of orthogonal projection to latent structures

BiRG

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

Omicometrics

RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis

barahona-research-group