All software
OpenChrom
OpenChrom is a vendor independent open source software for chromatography, spectrometry and spectroscopy.
- chromatography
- mass spectrometry
- Java
- HTML
- CSS
compareMS2
compareMS2 is a tool for direct comparison of tandem mass spectrometry datasets, typically from liquid chromatography-tandem mass spectrometry (LC-MS/MS), defining a distance as a function of the share of similar spectra. Applications span biomedicine, phylogenetics, forensics and food science.
- Forensics
- mass spectrometry
- phylogenetics
- + 1
- JavaScript
- C
- HTML
- + 2
PIQMIe
A web tool for mass spectrometry-based proteomics data analyses
- Data Analysis
- mass spectrometry
- Optimized data handling
- + 2
- HTML
- JavaScript
- Python
- + 3
Mass Spec Studio
A user-friendly, fully extensible framework for mass spectrometry analysis.
- mass spectrometry
- proteins
mzRecal
mzRecal recalibrates mass spectrometry (MS1) data in mzML format, using peptide identifications in mzIdentML.
- mass spectrometry
- proteomics
- Go
- Shell
- R
- + 2
OpenMS
OpenMS is an open-source software C++ library for LC-MS data management and analyses. It offers an infrastructure for rapid development of mass spectrometry related software. OpenMS is free software available under the three clause BSD license and runs under Windows, macOS, and Linux.
- C++
- mass spectrometry
- metabolomics
- + 1
- C++
- MAXScript
- Cython
- + 15
aiproteomics
Generate and compare deep learning models for generating synthetic mass spectral libraries
- Machine learning
- mass spectrometry
- phosphoproteomics
- + 1
- Jupyter Notebook
- Python
- Shell
clumped-processing
Clumped isotope measurement processing script for Thermo Fisher MAT 253 plus isotope ratio mass spectrometer with the Kiel IV
- clumped isotope
- Data Analysis
- mass spectrometry
- + 3
- HTML
- R
clumpedr
Clumpedr aims to facilitate analysis of clumped isotope data. It builds on isoreader which is used to import raw data files from the mass spectrometer, and most of the important data processing parts are based on Huntington et al. 2009 and Daëron et al. 2016.
- Data Analysis
- mass spectrometry
- R
- Makefile
- Rez
Mass Spec Studio for Clinical Proteomics
A fusion of the popular OpenMS suite of functionality with the powerful Mass Spec Studio. Users have access to OpenDIA and OpenPRM to support large scale processing of clinical proteomics data sets.
- mass spectrometry
- proteins
- proteomics
MSS-IMProv
An Integrative Modeling Platform
- mass spectrometry
- Modeling
- proteins