ViMMS 2.0
ViMMS 2.0: A framework to develop, test and optimise fragmentation strategies in LC-MS metabolomics - Published in JOSS (2022)
Archeofrag
Archeofrag: an R package for Refitting and Spatial Analysis in Archaeology - Published in JOSS (2022)
ugropy
A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PSRK, Joback, and Abdulelah-Gani models are implemented.
msPurity
A Bioconductor R package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
https://github.com/compomics/fragmentation-analyzer
A standalone java tool for analyzing ms/ms fragmentation data.
https://github.com/cpanse/uvpd
Ultra HRMS in combination with UVPD fragmentation for enhanced structural identification of organic micropollutants