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1. RIAssigner RIAssigner Public

   RIAssigner is a python tool for retention index (RI) computation for GC-MS data.

   Python 6 6

2. recetox-aplcms recetox-aplcms Public

   Forked from tianwei-yu/apLCMS

   This is a custom fork of apLCMS containing adaptations for large scale studies.

   R 5 12

3. recetox-xMSannotator recetox-xMSannotator Public

   Forked from kuppal2/xMSannotator

   This is a custom adaptation of the original version of xMSannotator. It is a complete rewrite of the original functionality, following the same program structure.

   R 5 7

4. MSMetaEnhancer MSMetaEnhancer Public

   Tool for mass spectra metadata annotation.

   Python 8 10

5. galaxytools galaxytools Public

   Set of Galaxy tool wrappers developed at RECETOX

   Python 13 16

6. ei_spectra_predictions ei_spectra_predictions Public

   This repository contains the workflow and supporting information for "Quantum chemistry based prediction of electron ionization mass spectra for environmental chemicals".

   Jupyter Notebook 5 1