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HDSLEE discussion group on MLOps, September 2022.
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Poster for Psik 2022 conference
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Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).
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qtisas / qtisas
GNU General Public License v3.0 onlyUpdated 
Neutron SimLab / OpenHKL
GNU General Public License v3.0 onlySingle crystal diffraction data reduction  work in progress. Formerly NSXTool.
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Literature review on machine learning density functional theory (MLDFT) and related topics
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Matthew Bryan / empyre
GNU General Public License v3.0 onlyElectron Microscopy Python Reconstruction, developed at the PGI5 / ERC  https://empyre.iffgit.fzjuelich.de/empyre/
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Code for generation & analysis of an AiiDA database of double transition metal impurity embeddings into the topological insulator Bi2Te3.
Fork of https://iffgit.fzjuelich.de/mozumder/Master_Thesis_Mozumder .
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Doctoral thesis (dissertation) of J. Wasmer's PhD project "Development of a surrogate machine learning model for the acceleration of firstprinciples calculations". Monograph.
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A collection of shell scripts and small python programms to help with the KKRnano program.
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containmentFOAM / containmentFOAM_release9
GNU General Public License v3.0 onlyRelease version of containmentFOAM, a pressure based multispecies solver based on OpenFOAM9. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.
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Electron transport calculation code based on the realspace finitedifference formalism within the framework of the density functional theory
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Computational model to study tissue growth  focusing on the homeostatic pressure  with the least amount of complexity possible.
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containmentFOAM / cfFramework_release
GNU General Public License v3.0 onlyRelease version of a Java based GUI for case creation and SolutionMonitor for containmentFoam
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