Helge Hecht's repositories
awesome-research-software-registries
Awesome list of Research Software Registries
BiG-SCAPE
Similarity networks of biosynthetic gene clusters
chem-spectra-app
A backend web service provides NMR/IR/MS processing for jcamp/RAW/mzML files.
chem-spectra-client
ChemSpectra client side server.
CoreMS
CoreMS is a comprehensive mass spectrometry framework for software development and data analysis of small molecules
dataCompareR
dataCompareR is an R package that allows users to compare two datasets and view a report on the similarities and differences.
EntropySearch
Search spectral library with entropy similarity
metabolomics2023
Contribution to the Metabolomics 2023 conference of the Metabolomics Society
mzmine3
MZmine 3 source code repository
mzML
Repository for mzML and the corresponding examples
mzPAF
mzPAF Peak Annotation Format
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
prolfqua
R package for protein Label-Free Quantification
protViz
Visualizing and Analyzing Mass Spectrometry Related Data in Proteomics
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).
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).
reduce
Reduce - tool for adding and correcting hydrogens in PDB files
spec2vec
Word2Vec based similarity measure of mass spectrometry data.
SpectriPy
Interfacing R's Spectra package with the Python world.
xcms
This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis