Pinned Repositories
aiida-common-workflows
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
aiida-core
The official repository for the AiiDA code
acwf-verification-scripts
Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification
aiida-fenics
aiida-fleur
Code containing the AiiDA-FLEUR plugin and some workflows for the DFT code FLEUR
aiida-kkr
Code containing the AiiDA-KKR plugins and some workflows for the juDFT KKR codes.
aiida-fleur
AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
corelevel-spectra-app
judft_tutorials
This repository contains different tutorials for various juDFT codes
masci-tools
Post-processing toolkit for electronic structure calculations
broeder-j's Repositories
broeder-j/acwf-verification-scripts
Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification
broeder-j/aiida-fenics
broeder-j/aiida-fleur
Code containing the AiiDA-FLEUR plugin and some workflows for the DFT code FLEUR
broeder-j/aiida-kkr
Code containing the AiiDA-KKR plugins and some workflows for the juDFT KKR codes.
broeder-j/aiida-max-examples
Examples of how to use MaX codes with AiiDA in the MARVEL Virtual Machine
broeder-j/aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
broeder-j/aiida-registry
Experimental registry for aiida plugins
broeder-j/aiida-testing
A pytest plugin to simplify testing of AiiDA plugins.
broeder-j/aiida_core
The official repository for the AiiDA code
broeder-j/aiida_docker_compose
Some examples of docker-compose configurations to start automatically AiiDA and all related services.
broeder-j/aiida_fleur_basewf
MERGED into 'aiida-fleur', NOT maintained anymore!
broeder-j/appmode
A Jupyter extensions that turns notebooks into web applications.
broeder-j/awesome-fair-data
A curated list of awesome stuff around the FAIR principles for (scientific) data, i.e that data is findable, accessable, interoperable and re-usable.
broeder-j/awesome-pipeline
A curated list of awesome pipeline toolkits inspired by Awesome Sysadmin
broeder-j/awesome-python-data-science
Probably the best curated list of data science software in Python.
broeder-j/bokeh
Interactive Data Visualization in the browser, from Python
broeder-j/bqplot
Plotting library for IPython/Jupyter Notebooks
broeder-j/fuji
FAIRsFAIR Research Data Object Assessment Service
broeder-j/glosim2
A rehaul of the glosim code, adding new features and removing many unused ones.
broeder-j/mc-pgi-app
broeder-j/ptable_trends
Python script to plot periodic trends as a heat map over the periodic table of elements
broeder-j/py4fi
Python for Finance (O'Reilly)
broeder-j/pygexf
a python library to generate gexf file format
broeder-j/python-visualization-landscape
Adaptation of Jake VanderPlas graphic about python visualization landscape
broeder-j/python_addon
my helper files for each python project