chemometrics topic

functions for chromatography and mass spectrometry data analysis

chemplexity

A collection of tools for chemometrics and machine learning written in Julia.

caseykneale

Explorative multivariate statistics in Python

olivertomic

R package: Misc. Functions for Processing and Sample Selection of Spectroscopic Data

l-ramirez-lopez

Write reproducible code for getting and processing ChEMBL

cthoyt

Algorithmic framework for measuring feature importance, outlier detection, model applicability evaluation, and ensemble predictive modeling with (sparse) partial least squares regressions.

nanxstats

My collection of implementations of adaptive filters.

rohitner

Python library for chemometric data analysis

maruedt

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

ALebrun-108

Code for performing various projection pursuit routines

S-Driscoll