niekdejonge

ms2query

MS2Query - machine learning assisted library querying of MS/MS spectra

spec2vec

Word2Vec based similarity measure of mass spectrometry data.

matchms

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

ms2deepscore

Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity

bioconda-recipes

Conda recipes for the bioconda channel.

BScMSLearning

Any and all files/code snippets that I will use during my thesiswork.

FERMO

Dashboard for analysis of liquid chromatography (tandem) mass spectrometry data.

git-workshop

Repository for the BIF GIT workshop

GNPS2_Documentation

MS2LDA_Reloaded

niekdejonge/MS2LDA_Reloaded

niekdejonge/bioconda-recipes

Conda recipes for the bioconda channel.

niekdejonge/BScMSLearning

Any and all files/code snippets that I will use during my thesiswork.

niekdejonge/FERMO

Dashboard for analysis of liquid chromatography (tandem) mass spectrometry data.

niekdejonge/git-workshop

Repository for the BIF GIT workshop

niekdejonge/GNPS2_Documentation

niekdejonge/hello-world

getting used to github

niekdejonge/hot-topic-computational-metabolomics

Code for recreating figures from our Hot Topic Computational Metabolomics paper.

niekdejonge/matchmsextras

additional network analysis functions for matchms

niekdejonge/ms2deepscore_java_conversion

Scripts for converting a MS2Deepscore model to a TorchScript model for compatibility with Java

niekdejonge/mzmine3

MZmine 3 source code repository

niekdejonge/mzmine_documentation

mzmine_documentation

niekdejonge/sinusoidal-embedding

code to generate sinusoidal embeddings