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Python script that reads a metadata text file, creates a SampleDB entry, and uploads files if desired.
Docker Images for building GR on various platforms.
aiida-kkr_ML-potential: Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method
Some utilities that simplify my daily work within aiida and aiida-kkr.
Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/
a collaborative formulary for generalised hypergeometric functions
IffTeX-iffGit integration: Example & Test
UNIFIT is a highly flexible program for fitting theories to experimental data.
Nodes to be shared in IAS-1