Search Results - RepositoryStats

318

479

other

30

The codebase of the OpenMS project

linux macos openms ms-data windows analyses algorithms proteomics c-plus-plus 3-clause-bsd metabolomics hacktoberfest mass-spectrometry

Created 2014-01-09

34,063 commits to develop branch, last one 4 days ago

cobratoolbox opencobra

319

254

other

33

The COnstraint-Based Reconstruction and Analysis Toolbox. Documentation:

cobra tutorial gap-filling metabolomics cobra-toolbox reconstruction transcriptomics human-metabolism metabolic-models strain-engineering microbiome-analysis metabolic-engineering omics-data-integration metabolic-reconstruction constraint-based-modeling

Created 2012-11-02

9,302 commits to master branch, last one about a month ago

matchms matchms

65

194

apache-2.0

13

Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.

python3 analysis fuzzy-search metabolomics fuzzy-matching mass-spectrometry similarity-measures

Created 2020-05-20

4,754 commits to master branch, last one 17 days ago

xcms sneumann

80

190

other

21

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

r bioconductor metabolomics peak-detection feature-detection mass-spectrometry

Created 2014-03-28

3,873 commits to devel branch, last one 6 days ago

sirius sirius-ms

23

90

agpl-3.0

10

SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)

java denovo sirius ms-data science fingerid ms-spectra csi-fingerid mass-spectra metabolomics bioinformatics cheminformatics isotope-pattern mass-spectrometry molecular-formulas fragmentation-trees molecular-structures structure-elucidation

Created 2017-06-16

9,980 commits to stable branch, last one about a month ago

ElMaven ElucidataInc

52

88

gpl-2.0

15

LC-MS data processing tool for large-scale metabolomics experiments.

qt lc-ms lc-msms c-plus-plus metabolomics mass-spectrometry

Created 2016-10-07

4,068 commits to develop branch, last one 2 years ago

depthcharge wfondrie

19

68

apache-2.0

10

A deep learning toolkit for mass spectrometry

pytorch framework proteomics metabolomics deep-learning mass-spectrometry

Created 2021-03-30

83 commits to main branch, last one 7 months ago

pyopls BiRG

17

62

mit

4

A Python 3 implementation of orthogonal projection to latent structures

chemometrics metabolomics feature-selection orthogonal-signal-correction partial-least-squares-regression

Created 2019-06-13

83 commits to master branch, last one 4 years ago

MM johon-lituobang

15

61

unknown

9

Infer metabolic directions from moment differences of mass-weighted intensity distributions

moment moments annotations mass-spectra metabolomics mass-spectrum metabolic-models mass-spectrometry metabolic-network metabolic-networks metabolic-pathways metabolic-engineering mass-spectrometry-data metabolic-flux-analysis

Created 2023-11-25

23 commits to main branch, last one 10 months ago

isicle pnnl

19

58

bsd-3-clause

9

In silico chemical library engine for high-accuracy chemical property prediction

ion-mobility metabolomics standards-free chemical-shifts quantum-chemistry molecular-dynamics collision-cross-section computational-chemistry density-functional-theory high-performance-computing

Created 2018-07-26

984 commits to master branch, last one 2 days ago

GNPS_Workflows CCMS-UCSD

45

57

other

7

Public Workflows at GNPS

gnps untargeted metabolomics naturalproducts mass-spectrometry molecularnetworking

Created 2016-04-27

1,847 commits to master branch, last one about a year ago

mzkit xieguigang

17

56

mit

3

Data toolkits for processing NMR, MALDI MSI, MALDI single cell, Raman Spectroscopy, LC-MS and GC-MS raw data, chemoinformatics data analysis and data visualization.

kegg gc-ms gcxgc lc-ms maldi mzkit metadna ms-dial r-sharp lipidomics ms-imaging single-cell visualbasic metabolomics chemoinformatics mass-spectrometry raman-spectroscopy single-cell-metabolism

Created 2017-03-23

16,836 commits to master branch, last one 21 hours ago

tidyms griquelme

11

54

bsd-3-clause

1

TidyMS: Tools for working with MS data in untargeted metabolomics

metabolomics mass-spectrometry

Created 2019-06-18

797 commits to master branch, last one 9 months ago

CoreMS EMSL-Computing

26

52

bsd-2-clause

8

CoreMS is a comprehensive mass spectrometry software framework

metabolomics data-analysis complex-mixture molecular-search mass-spectrometry molecular-database soil-organic-matter metabolomics-pipeline natural-organic-matter dissolved-organic-matter molecular-formulae-assignment

Created 2020-05-18

2,483 commits to master branch, last one 3 days ago

sirius-libs sirius-ms

25

51

unknown

7

sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java

denovo ms-data ms-spectra java-library metabolomics bioinformatics cheminformatics mass-spectrometry molecular-formulas scientific-computing

This repository has been archived (exclude archived)

Created 2017-03-16

3,934 commits to stable branch, last one 4 months ago

DAtest Russel88

9

50

gpl-3.0

8

Compare different differential abundance and expression methods

16s auc otu rnaseq microbiome proteomics metabolomics metagenomics compare-methods relative-abundances marker-gene-analysis false-positive-control differential-expression differential-abundance-methods

Created 2017-06-23

214 commits to master branch, last one 2 years ago

chromConverter ethanbass

3

31

gpl-3.0

4

Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)

r hplc gc-fid rstats hplc-uv hplc-dad fair-data open-data r-package metabolomics open-science chromatography cheminformatics metabolomics-data

Created 2022-03-27

528 commits to master branch, last one 6 hours ago