zhengfj1994

AutoRtExtractor

BigDataMetabolomics_Human

centWaveOpt

Supplementary 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 Metabolomic" by Sascha K. Manier et al., Drug Testing and Analysis, 2018.

centWaveP

A fork of centWave - LC/MS peak detection with wavelets.

MetEx

MetEx is a tool to extract and annotate metabolites from liquid chromatography–mass spectrometry data.

mordred

a molecular descriptor calculator

MRM-Ion_Pair_Finder

Defined MRM transitions from untargeted metabolomics data

Text-mining-for-CBDB

tR-prediction

transferlearning

Everything about Transfer Learning and Domain Adaptation--迁移学习

zhengfj1994/MetEx

MetEx is a tool to extract and annotate metabolites from liquid chromatography–mass spectrometry data.

zhengfj1994/MRM-Ion_Pair_Finder

Defined MRM transitions from untargeted metabolomics data

zhengfj1994/Text-mining-for-CBDB

zhengfj1994/mordred

a molecular descriptor calculator

zhengfj1994/tR-prediction

zhengfj1994/transferlearning

Everything about Transfer Learning and Domain Adaptation--迁移学习

zhengfj1994/AutoRtExtractor

zhengfj1994/centWaveOpt

Supplementary 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 Metabolomic" by Sascha K. Manier et al., Drug Testing and Analysis, 2018.

zhengfj1994/getMetlinCode

Code used to query the Metlin database for mass and MSn data

zhengfj1994/hands-on-transfer-learning-with-python

Deep learning simplified by transferring prior learning using the Python deep learning ecosystem

zhengfj1994/keras

R Interface to Keras

zhengfj1994/KPIC2

KPIC2: An Effective Framework for Mass Spectrometry-Based Metabolomics Using Pure Ion Chromatograms

zhengfj1994/libPeak

Methods of peak detection for analytical instruments

zhengfj1994/MAPD

Mass Spectrometry Assisted Peak Detection Algorithm of Pure Ion Chromatograms from LC-MS

zhengfj1994/metID

Construct database and identify metabolites.

zhengfj1994/ModifiedMetMRM

Modified metabolites identification and define MRM transitions

zhengfj1994/MolPMoFiT

zhengfj1994/MSFilter

Combine three different peak tables

zhengfj1994/plantMS2

Used for plant metabolites identification

zhengfj1994/PPGB_MS2

zhengfj1994/py-findpeaks

Overview of the peaks dectection algorithms available in Python

zhengfj1994/rdkit-blog

zhengfj1994/reticulate

R Interface to Python

zhengfj1994/RtPredTrainingData

This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based metabolomics

zhengfj1994/SIMAT_GC

zhengfj1994/SMRT_transfer

zhengfj1994/swirl_courses

:mortar_board: A collection of interactive courses for the swirl R package.

zhengfj1994/TargetedMSQC

TargetedMSQC is an R package for automated quality assessment of chromatographic peaks and transitions and interference detection in targeted mass spectrometry data.

zhengfj1994/Untargeted-metabolomics

This repository contains scripts for functions used in untargeted metabolomic workflows for specific projects listed in other repositories.

zhengfj1994/zhengfj1994.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes