metabolomicshk Goto Github PK

msstatsqc

A Bioconductor/R package for longitudinal system suitability monitoring and quality control for proteomic experiments

mz.unity

mz.unity is an R package for detecting and exploring complex relationships in accurate-mass mass spectrometry data

mzr

This is the git repository matching the Bioconductor package mzR: parser for netCDF, mzXML, mzData and mzML files (mass spectrometry data)

ncgtw

Profile Alignment by Neighbor-wise Compound-specific Graphical Time Warping with Misalignment Detection

netid

A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery

nmf

NMF: A Flexible R package for Nonnegative Matrix Factorization

note

nozzle

Nozzle is a report generation toolkit for data analysis pipelines implemented in R.

nps-generation

orgmassspecr

Organic/biological mass spectrometry data analysis (development version).

peakquality

predret

Shiny app for retention time prediction

r-training

rawdiag

Bring Mass Spectrometry Data to Life; Multi-platform, Fast and Colorful R package.

rawhummus

QC Check Tool for Metabolomics

reinvent

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

scatterplot-shiny

This is a very simple app I did for testing the Shiny framework for R. The app is a dynamic scatterplot where the us able to change the variables to plot.

shiny-examples

simat_gc

simextargid

Developed by William Edmands and supported by Josie Hayes

specter

Specter: linear deconvolution for targeted analysis of data-independent acquisition mass spectrometry proteomics

spectralentropy

The similarity score for spectral comparison

stattarget

Statistical Analysis of Metabolite Profile

swathtomrm

ZHU Lab

targetedmsqc

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

tarmet

An R package and Shiny App for MS-Based Targeted Metabolic Analyses

xcms

This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis

xgboost

Scalable, Portable and Distributed Gradient Boosting (GBDT, GBRT or GBM) Library, for Python, R, Java, Scala, C++ and more. Runs on single machine, Hadoop, Spark, Flink and DataFlow

xmsannotator

fork from https://sourceforge.net/projects/xmsannotator/