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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.

Open-source Python package for geometric plasma simulations.

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

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.

6D backwards semi-Lagrangian Simulations

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

GADGET-4 is a parallel cosmological N-body and SPH code meant for simulations of cosmic structure formation and calculations relevant for galaxy evolution and galactic dynamics.

AREPO is a parallel moving-mesh code for hydrodynamical cosmological simulations. It is a flexible code that can be applied to a variety of different types of simulations, offering a variety of physics solvers and postprocessing algorithms.

The edd provisioning system based on ansible

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.

IR data download routines/functions

The NOMAD remote tools hub is an ....

DeepLabCut based data analysis package including pose estimation and representation learning mediated behavior recognition

This repository contains the script to build the single-user jupyter notebook server of the NOMAD analytics toolkits

NN surrogate model of the ideal-MHD code VMEC.

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.