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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.

GVEC - A flexible 3D MHD equilibrium solver

GVEC (Galerkin Variational Equilibrium Code) is an open-source software for the generation of three-dimensional ideal MHD equilibria.

Binder-compatible repository for the MPCDF Python for HPC course.

Open-source Python package for geometric plasma simulations.

Eigenvalue Solvers for Petaflop Apllications (ELPA), please see elpa.mpcdf.mpg.de

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.

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.

6D backwards semi-Lagrangian Simulations

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.

Inventory and provisioning for EDD Deployments @ Effelsberg

Kinetic Modeling of Stripes, Surfaces, and Solids (kmos3): Lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.

Bayesian calibration and imaging for data from radio telescopes.

A python library to map arbitrary, simply connected domains to the unit disc, useful for constructing boundary conforming coordinates. In addition this package includes classes to describe and compute Zernike Polynomials.

This library relies on the boundary integral methods provided by pybie2d and is intended to be used for a new initialization option for GVEC.

A repository for AI containers for the MPCDF HPC systems: recipes and how to's

The edd provisioning system based on ansible