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

   Python 6 6

2. Forked from tianwei-yu/apLCMS

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

   R 5 12

3. 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. Tool for mass spectra metadata annotation.

   Python 8 10

5. Set of Galaxy tool wrappers developed at RECETOX

   Python 14 16

6. 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