curve fitting (peak fitting) software

Visualization and Analysis of mass spectrometric and chromatographic data.

The heart of CADET. A modular, fast, and accurate modeling and simulation framework for biotechnology processes.

functions for chromatography and mass spectrometry data analysis

A script to extract data from ÄKTA/UNICORN result-files (.res)

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

yadg: yet another datagram

Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)

Organic/biological mass spectrometry data analysis (development version).

Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).

Set of Galaxy tool wrappers developed at RECETOX

Chemical Methods Ontology

A suite of chromatography programms: Breakthrough curve modelling, isotherm determination, parameters fitting...

Tools for storing, search and analyze GC/MS spectra

A community science effort to measure formaldehyde in the home environment

A mass spectrometry package for Julia

[Analytical Chemistry] Enhanced Structure-Based Prediction of Chiral Stationary Phases for Chromatographic Enantioseparation from 3D Molecular Conformations

A Pythonic automaton that facilitates the post-processing of chromatographic data generated by AKTA Pure systems running UNICORN 7.0+

Import, analyze and visualize chromatography data from UNICORN software

This provides the python-based simulated moving bed (SMB) optimizer developed by the Process Information Engineering lab at the Department of Materials Process Engineering, Nagoya University.