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Project outline for HDSLEE monitoring process, October 2022.
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HDSLEE discussion group on MLOps, September 2022.
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Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).
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Single crystal diffraction data reduction  work in progress. Formerly NSXTool.
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Literature review on MLenabled DFT for AI meeting
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Electron Microscopy Python Reconstruction, developed at the PGI5 / ERC  https://empyre.iffgit.fzjuelich.de/empyre/
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Fork of https://iffgit.fzjuelich.de/mozumder/Master_Thesis_Mozumder .
About the fork origin:
These notebooks accompany the data for mozumder's master thesis "Design of magnetic interactions in doped topological insulators", 202204. The data, in the version used for the master thesis submission, is now available on /Data/ias1/wasmer/import/220412_mozumder_masterthesis.
About the fork:
This fork is about picking up the work where mozumder left off. Specifically, about ML prediction of the Jij interaction (ultimate chapter in his thesis).
What follows is the orignal repository description.
Working of kkr_combine_imps_wc , CPA calculation and ML that includes:
kkr_combine_imps_wc calculations, data and relevant plots CPA calculations, data and plot ML approachUpdated 
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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