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@RECETOX

RECETOX RI (EIRENE-CZ)

At RECETOX we are engaged in research and education in the management of environmental and health risks associated with the chemicals around us.

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  1. RIAssigner Public

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

    Python 5 6

  2. recetox-aplcms Public

    Forked from tianwei-yu/apLCMS

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

    R 4 8

  3. 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 6

  4. workflow-testing Public

    Contains RECETOX workflows with automated tests against our instance at https://umsa.cerit-sc.cz/

    3 5

  5. MSMetaEnhancer Public

    Tool for mass spectra metadata annotation.

    Python 8 9

  6. galaxytools Public

    Set of Galaxy tool wrappers developed at RECETOX

    Python 13 14

Repositories

Showing 10 of 34 repositories
  • wtv Public

    An implementation of ion selection based on WTV-2.0

    Python 0 GPL-3.0 1 5 0 Updated Mar 27, 2025
  • galaxytools Public

    Set of Galaxy tool wrappers developed at RECETOX

    Python 13 MIT 14 69 (1 issue needs help) 4 Updated Feb 17, 2025
  • specdatri_reporting Public

    The code base includes a collection of scripts and GitHub Actions designed to gather various metrics on RECETOX's impact.

    0 MIT 0 3 1 Updated Feb 12, 2025
  • training-material Public Forked from galaxyproject/training-material

    A collection of Galaxy-related training material

    HTML 2 MIT 947 9 0 Updated Jan 20, 2025
  • 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 GPL-3.0 8 14 (1 issue needs help) 0 Updated Nov 18, 2024
  • 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 4 MIT 1 6 0 Updated Nov 13, 2024
  • recetox-aplcms Public Forked from tianwei-yu/apLCMS

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

    R 4 GPL-2.0 10 18 (1 issue needs help) 0 Updated Oct 31, 2024
  • MFAssignR Public Forked from skschum/MFAssignR

    The MFAssignR package was designed for multi-element molecular formula (MF) assignment of ultrahigh resolution mass spectrometry measurements. A number of tools for internal mass recalibration, MF assignment, signal-to-noise evaluation, and unambiguous formula selections are provided.

    R 0 GPL-3.0 26 7 0 Updated Oct 30, 2024
  • RAMClustR Public Forked from cbroeckl/RAMClustR

    Assigning precursor-product ion relationships in indiscriminant MS/MS data

    R 0 MIT 17 12 0 Updated Aug 16, 2024
  • rcx-tk Public
    Python 0 MIT 2 1 0 Updated Aug 1, 2024
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