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Dalian Institute of Chemical Physics
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MetEx Public
MetEx is a tool to extract and annotate metabolites from liquid chromatography–mass spectrometry data.
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MRM-Ion_Pair_Finder Public
Defined MRM transitions from untargeted metabolomics data
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zhengfj1994.github.io Public
Forked from academicpages/academicpages.github.ioGithub Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
JavaScript MIT License UpdatedAug 31, 2023 -
RtPredTrainingData Public
Forked from michaelwitting/RepoRTThis repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based metabolomics
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rdkit-blog Public
Forked from greglandrum/rdkit-blog-fastpagesJupyter Notebook Other UpdatedOct 21, 2022 -
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transferlearning Public
Forked from jindongwang/transferlearningEverything about Transfer Learning and Domain Adaptation--迁移学习
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ModifiedMetMRM Public
Modified metabolites identification and define MRM transitions
R UpdatedDec 30, 2019 -
reticulate Public
Forked from rstudio/reticulateR Interface to Python
R Apache License 2.0 UpdatedDec 5, 2019 -
getMetlinCode Public
Forked from IngallsLabUW/getMetlinCodeCode used to query the Metlin database for mass and MSn data
HTML UpdatedNov 23, 2019 -
metID Public
Forked from JustinZZW/metIDConstruct database and identify metabolites.
R GNU General Public License v3.0 UpdatedNov 19, 2019 -
swirl_courses Public
Forked from swirldev/swirl_courses🎓 A collection of interactive courses for the swirl R package.
R Other UpdatedOct 31, 2019 -
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py-findpeaks Public
Forked from MonsieurV/py-findpeaksOverview of the peaks dectection algorithms available in Python
Python MIT License UpdatedSep 7, 2019 -
KPIC2 Public
Forked from hcji/KPIC2KPIC2: An Effective Framework for Mass Spectrometry-Based Metabolomics Using Pure Ion Chromatograms
R UpdatedAug 28, 2019 -
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mordred Public
Forked from mordred-descriptor/mordreda molecular descriptor calculator
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TargetedMSQC Public
Forked from shadieshghi/TargetedMSQCTargetedMSQC is an R package for automated quality assessment of chromatographic peaks and transitions and interference detection in targeted mass spectrometry data.
R UpdatedFeb 22, 2019 -
centWaveOpt Public
Forked from saskema/centWaveOptSupplementary material for the paper "Automated Optimization of XCMS Parameters for Improved Peak Picking of LC-MS Data using the Coefficient of Variation and Parameter Sweeping for Untargeted Meta…
R GNU General Public License v3.0 UpdatedNov 15, 2018 -
hands-on-transfer-learning-with-python Public
Forked from dipanjanS/hands-on-transfer-learning-with-pythonDeep learning simplified by transferring prior learning using the Python deep learning ecosystem
Jupyter Notebook Apache License 2.0 UpdatedSep 28, 2018 -
Mass Spectrometry Assisted Peak Detection Algorithm of Pure Ion Chromatograms from LC-MS
R GNU General Public License v3.0 UpdatedJul 11, 2018 -
libPeak Public
Forked from zmzhang/libPeakMethods of peak detection for analytical instruments
Python UpdatedMay 31, 2018 -
Untargeted-metabolomics Public
Forked from lhmelo/Untargeted-metabolomicsThis repository contains scripts for functions used in untargeted metabolomic workflows for specific projects listed in other repositories.