aberHRML

All

12 repositories

aberHRML-docker
Public
Docker images from the Aberystwyth High Resolution Metabolomics Laboratory (HRML)
Dockerfile
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MIT License
•0•1•0•0•Updated Oct 21, 2024Oct 21, 2024
binneR
Public
An R package for spectral binning of FIE-HRMS metabolomic fingerprinting data
r fingerprinting metabolomics mass-spectrometry spectral-binning high-resolution-mass-spectrometry cran fie-hrms
R
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GNU General Public License v3.0
•1•3•2•1•Updated Jul 2, 2024Jul 2, 2024
mzAnnotation
Public
An R package containing tools for putative annotation of accurate m/z from electrospray ionisation mass spectrometry data.
R
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GNU General Public License v3.0
•2•2•0•0•Updated Jun 24, 2024Jun 24, 2024
metabolighteR
Public
R Interface to the Metabolights REST API
rest-api open-data metabolomics metabolights metabolights-studies
R
•3•10•4•0•Updated Feb 26, 2024Feb 26, 2024
assignments
Public
Automated molecular formula assignment for ultra-high resolution ESI-MS metabolomics data
R
•0•1•0•0•Updated Jan 11, 2024Jan 11, 2024
grover
Public
Web API Framework for Mass Spectrometry Data Transfer
R
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GNU General Public License v3.0
•1•0•0•0•Updated Jul 25, 2023Jul 25, 2023
classyfireR
Public
R Interface to the ClassyFire REST API
database ontology metabolomics chemont classifiation inchi-key cran
R
•9•10•4•0•Updated Dec 4, 2022Dec 4, 2022
metaboData
Public
An R package containing example data sets for metabolomics analyses
data metabolomics mass-spectrometry datasets fie-hrms fie-ms
R
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GNU General Public License v3.0
•0•1•0•0•Updated Feb 15, 2022Feb 15, 2022
forestControl
Public
Approximate False Positive Rate Control in Selection Frequencies for Random Forest
randomforest
R
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Other
•0•2•0•0•Updated Feb 9, 2022Feb 9, 2022
drat
Public
Drat R Archive Template
HTML
•101•0•0•0•Updated Aug 4, 2021Aug 4, 2021
aberHRML.github.io
Public
0•0•0•0•Updated Nov 19, 2018Nov 19, 2018
FIEmspro
Public
FIEmspro
machine-learning classification data-analysis metabolomics
R
•1•3•0•0•Updated Feb 16, 2018Feb 16, 2018