Search Packages

chembl-downloader

Write reproducible code for getting and processing ChEMBL

ramanspy

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

pyopls

A Python 3 implementation of orthogonal projection to latent structures

mbpls

(Multiblock) Partial Least Squares Regression for Python

boxsers

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

foodspec

Gold-standard Raman and FTIR spectroscopy toolkit for food science.

pychemometrics

pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets

hoggorm

Package for explorative multivariate statistics

diplslib

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

chemometrics

package for chemometric data analysis

preprocspectra

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

molbokeh

A new python package to visualize molecules in dots hover

spectoprep

A comprehensive spectral preprocessing toolkit for chemometrics

mocca

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