All

36 repositories

galaxytools
Public
Set of Galaxy tool wrappers developed at RECETOX
mass-spectrometry usegalaxy hacktoberfest
mass-spectrometry usegalaxy hacktoberfest chromatography galaxyproject
Python
•
MIT License
•16•14•69•8•Updated Apr 30, 2026Apr 30, 2026
rcx-tk
Public
Set of utility functions to handle various MS-related files used before/during/after data processing.
Python
•
MIT License
•2•0•0•0•Updated Apr 30, 2026Apr 30, 2026
specdatri_reporting
Public
The code base includes a collection of scripts and GitHub Actions designed to gather various metrics on RECETOX's impact.
Python
•
MIT License
•0•2•1•0•Updated Apr 27, 2026Apr 27, 2026
RIAssigner
Public
RIAssigner is a python tool for retention index (RI) computation for GC-MS data.
python mass-spectrometry hacktoberfest
python mass-spectrometry hacktoberfest gc-ms
Python
•
MIT License
•6•6•9•4•Updated Apr 14, 2026Apr 14, 2026
fs-irods
Public
PyFilesystem2 extension for iRODS
irods pyfilesystem2
irods pyfilesystem2
Python
•
MIT License
•4•1•7•1•Updated Mar 30, 2026Mar 30, 2026
freqsap
Public
Find frequency of single amino-acid polymoprhisms.
proteomics uniprot genomic-variants
proteomics uniprot genomic-variants dbnsp
Python
•
MIT License
•0•0•2•0•Updated Mar 24, 2026Mar 24, 2026
recetox-aplcms
Public
This is a custom fork of apLCMS containing adaptations for large scale studies.
mass-spectrometry hacktoberfest lcms
mass-spectrometry hacktoberfest lcms peak-detection
R
•
GNU General Public License v2.0
•13•5•22•2•Updated Mar 24, 2026Mar 24, 2026
MSMetaEnhancer
Public
Tool for mass spectra metadata annotation.
python annotations mass-spectrometry
python annotations mass-spectrometry usegalaxy hacktoberfest
Python
•
MIT License
•10•8•11•0•Updated Mar 10, 2026Mar 10, 2026
wtv
Public
An implementation of ion selection based on WTV-2.0
Python
•
GNU General Public License v3.0
•1•0•1•1•Updated Jul 25, 2025Jul 25, 2025
WaveICA
Public
Removal of batch effects for large-scale untargeted metabolomics data based on wavelet transform.
R
•
MIT License
•6•0•2•0•Updated Jun 18, 2025Jun 18, 2025
training-material
Public
A collection of Galaxy-related training material
HTML
•
MIT License
•1.1k•2•7•0•Updated Apr 16, 2025Apr 16, 2025
recetox-xMSannotator
Public
This is a custom adaptation of the original version of xMSannotator. It is a complete rewrite of the original functionality, following the same program structur…
mass-spectrometry hacktoberfest
mass-spectrometry hacktoberfest
R
•
GNU General Public License v3.0
•9•5•15•0•Updated Nov 18, 2024Nov 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 c…
metabolomics gc-ms exposomics
metabolomics gc-ms exposomics qxcms mass-spectormetry
Jupyter Notebook
•
MIT License
•1•5•3•0•Updated Nov 13, 2024Nov 13, 2024
MFAssignR
Public
The MFAssignR package was designed for multi-element molecular formula (MF) assignment of ultrahigh resolution mass spectrometry measurements. A number of tools…
R
•
GNU General Public License v3.0
•28•0•6•0•Updated Oct 30, 2024Oct 30, 2024
RAMClustR
Public
Assigning precursor-product ion relationships in indiscriminant MS/MS data
R
•
MIT License
•18•0•12•0•Updated Aug 16, 2024Aug 16, 2024
gc-meox-tms
Public
Jupyter Notebook
•
MIT License
•4•1•4•0•Updated Jun 7, 2024Jun 7, 2024
workflow-testing
Public
Contains RECETOX workflows with automated tests against UMSA
testing usegalaxy hacktoberfest
testing usegalaxy hacktoberfest galaxyproject
MIT License
•5•3•4•0•Updated Jun 6, 2024Jun 6, 2024
python-template
Public
Netherlands eScience Center Python Template
Python
•
Apache License 2.0
•85•0•0•0•Updated May 31, 2024May 31, 2024
round2-task
Public
Python
•
GNU General Public License v3.0
•1•0•0•0•Updated May 24, 2024May 24, 2024
qcxms-dockerfile
Public
Shell
•
MIT License
•0•0•0•0•Updated Feb 15, 2024Feb 15, 2024
recetox-msfinder
Public
C#
•2•3•1•0•Updated Jan 18, 2024Jan 18, 2024
galaxy
Public
Data intensive science for everyone.
Python
•
Other
•1.1k•0•1•0•Updated Aug 21, 2023Aug 21, 2023
raims
Public
Recetox AI MS aproaches
Jupyter Notebook
•
MIT License
•0•1•0•0•Updated Dec 12, 2022Dec 12, 2022
qceims
Public
Shell
•1•1•0•0•Updated Apr 26, 2022Apr 26, 2022
workflow-reports
Public
workflow metabolomics usegalaxy
workflow metabolomics usegalaxy hacktoberfest
MIT License
•3•1•0•0•Updated Nov 17, 2021Nov 17, 2021
WaveICA_2.0
Public
Removing batch effects for untargeted metabolomics data without using batch information
R
•
MIT License
•3•0•0•0•Updated Nov 4, 2021Nov 4, 2021
CALLC
Public
Jupyter Notebook
•
Apache License 2.0
•0•0•0•0•Updated Sep 22, 2021Sep 22, 2021
recedb
Public
hacktoberfest
hacktoberfest
Python
•0•1•6•1•Updated Jun 28, 2021Jun 28, 2021
xMSannotator
Public archive
mass-spectrometry
mass-spectrometry
R
•1•0•0•0•Updated Jun 11, 2021Jun 11, 2021
MSPannotator
Public archive
Repository for tool that add more annotations (e.g. SMILES, InChI) to chemical identifiers based on CAS number.
R
•1•0•3•0•Updated Jun 7, 2021Jun 7, 2021

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RECETOX RI (EIRENE-CZ)

All

All

36 repositories

galaxytools

rcx-tk

specdatri_reporting

RIAssigner

fs-irods

freqsap

recetox-aplcms

MSMetaEnhancer

wtv

WaveICA

training-material

recetox-xMSannotator

ei_spectra_predictions

MFAssignR

RAMClustR

gc-meox-tms

workflow-testing

python-template

round2-task

qcxms-dockerfile

recetox-msfinder

galaxy

raims

qceims

workflow-reports

WaveICA_2.0

CALLC

recedb

xMSannotator

MSPannotator

All

All

Repositories list

36 repositories