wverastegui

Ab-initio materials simulation & Spectrometric Data Processing and Analysis

RECETOXBrno

Pinned Repositories

AIMD_on_QC
Language:Python00
cs-video-courses
List of Computer Science courses with video lectures.
00
galaxytools
Set of Galaxy tool wrappers developed at RECETOX
Language:Python00
gc_derivatization
Language:Jupyter Notebook00
matchms
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
Language:Python00
MDC
Language:Fortran00
merge_msp
Language:Jupyter Notebook00
PlotMS
Plot program for QCxMS spectrum plotting
Language:Fortran00
PracticeCode
Language:Python00
python-build-cli-planner-app
Language:Python00

wverastegui's Repositories

wverastegui/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.
Language:R
wverastegui/QCxMS
Quantum mechanic mass spectrometry calculation program
Language:Fortran
wverastegui/MDC
Language:Fortran
wverastegui/matchms
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
wverastegui/galaxytools
Set of Galaxy tool wrappers developed at RECETOX
Language:Python
wverastegui/python-build-cli-planner-app
Language:Python
wverastegui/recetox-aplcms
This is a custom fork of apLCMS containing adaptations for large scale studies.
Language:R
wverastegui/QCEIMS_wrapper
wverastegui/PlotMS
Plot program for QCxMS spectrum plotting
Language:Fortran
wverastegui/gc_derivatization
Language:Jupyter Notebook
wverastegui/cs-video-courses
List of Computer Science courses with video lectures.
wverastegui/training-material
A collection of Galaxy-related training material
wverastegui/PracticeCode
Language:Python
wverastegui/merge_msp
Language:Jupyter Notebook
wverastegui/wverastegui
Config files for my GitHub profile.
wverastegui/AIMD_on_QC