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ms-interactive-viz

Customizable and informative mass spectra with Bokeh

msbackendmsp

Mass Spectrometry Data Backend for MSP Files

multi-color-transfer

Same as color transfer (Reinhard's method), but with several images

mzmine3

MZmine 3 source code repository

mzr

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

mzspeclib

mzSpecLib: A standard format to exchange/distribute spectral libraries

mzxml-web

mzXML file reader and javascript data visualization tools

nplinker

nplinker-webapp

open-infra-platform

This is the official repository of the open-source Open Infra Platform software (as of April 2020).

openbci_8bit

Firmware for OpenBCI_8bit Board along with Host and Device code

patroon

Workflow solutions for mass-spectrometry based non-target analysis.

pmdencoder

pointcloudset

Efficient analysis of large datasets of point clouds recorded over time

prolfqua

R package for protein Label-Free Quantification

protviz

Visualizing and Analyzing Mass Spectrometry Related Data in Proteomics

pub2tools

A utility constructing bio.tools entries from publications

pubfetcher

A Java command-line tool and library to download and store publications with metadata by combining content from various online resources

pwiz

The ProteoWizard Library is a set of software libraries and tools for rapid development of mass spectrometry and proteomic data analysis software.

pymspannotator

Repository for tool that adds more annotations (e.g. SMILES, InChI, CAS number) to MSP files (Python version).

qsrr_automator

Easy to use Automation software for creation of Retention Time prediction machine learning models

r-actions

Automatically build and check your R package with GitHub Actions

ramclustr

Assigning precursor-product ion relationships in indiscriminant MS/MS data

react-spectra-editor

An editor to View and Edit Chemical Spectra data (NMR, IR and MS).

recetox-aplcms

This is a custom fork of apLCMS containing adaptations for large scale studies.

recetox-xmsannotator

recetox.aplcms.adapters

reduce

Reduce - tool for adding and correcting hydrogens in PDB files

riassigner

RIAssigner is a python tool for retention index (RI) computation for GC-MS data.

sirius

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)