Pinned Repositories
matchms
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
bioconda-recipes
Conda recipes for the bioconda channel.
ChemnameNormalizer
Unify and normalize names of chemical compounds via PubChem compound database.
dataCompareR
dataCompareR is an R package that allows users to compare two datasets and view a report on the similarities and differences.
galaxy
Data intensive science for everyone.
galaxytools
Set of Galaxy tool wrappers developed at RECETOX
gc_derivatization
galaxytools
Set of Galaxy tool wrappers developed at RECETOX
recetox-aplcms
This is a custom fork of apLCMS containing adaptations for large scale studies.
RIAssigner
RIAssigner is a python tool for retention index (RI) computation for GC-MS data.
maximskorik's Repositories
maximskorik/ChemnameNormalizer
Unify and normalize names of chemical compounds via PubChem compound database.
maximskorik/bioconda-recipes
Conda recipes for the bioconda channel.
maximskorik/dataCompareR
dataCompareR is an R package that allows users to compare two datasets and view a report on the similarities and differences.
maximskorik/galaxy
Data intensive science for everyone.
maximskorik/galaxytools
Set of Galaxy tool wrappers developed at RECETOX
maximskorik/gc_derivatization
maximskorik/handson-ml2
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
maximskorik/matchms
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
maximskorik/maximskorik
maximskorik/MSMetaEnhancer
Tool for mass spectra metadata annotation.
maximskorik/python_testing_with_pytest_ci
maximskorik/RAMClustR
Assigning precursor-product ion relationships in indiscriminant MS/MS data
maximskorik/recetox-aplcms
This is a custom fork of apLCMS containing adaptations for large scale studies.
maximskorik/recetox-xMSannotator
This is a custom adaptation of the original version of xMSannotator. It is a complete rewrite of the original functionality, following the same program structure.
maximskorik/RIAssigner
RIAssigner is a python tool for retention index (RI) computation for GC-MS data.
maximskorik/sparsestack
Memory efficient stack of multiple 2D sparse arrays.
maximskorik/spec2vec
Word2Vec based similarity measure of mass spectrometry data.
maximskorik/test-checker
maximskorik/training-material
A collection of Galaxy-related training material
maximskorik/WaveICA
Removal of batch effects for large-scale untargeted metabolomics data based on wavelet transform.