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This project comprises all infrastructure related source-code, integrates all necessary parsers and auxiliary projects, and contains the necessary deployment and operation scripts of the current consolidated NOMAD repository and archive.
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The w7x package is a simulation framework that defines interfaces for simulation codes with interchangeable backends, computation pipelines in a directed acyclic graph that communicate via a central state.
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Binder-compatible repository for the MPCDF Python for HPC course.
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Eigenvalue Solvers for Petaflop Apllications (ELPA), please see elpa.mpcdf.mpg.de
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Open-source Python package for geometric plasma simulations.
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GPU-Accelerated Python STOPgap for Template Matching is an open-source SW for fast template matching (TM) in cryo electron tomograms that is based on TM routines from STOPGAP.
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Library for printing the current and maximum resident set size of a Fortran, C, or C++ MPI application
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An implementation of the presented framework in an article in J. Chem. Phys. 2023 (accepted DOI: 10.1063/5.0160369), Manuscript title: A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules.
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DeepLabCut based data analysis package including pose estimation and representation learning mediated behavior recognition
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NN surrogate model of the ideal-MHD code VMEC.
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