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Python

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.

Llamore: Large LAnguage MOdels for Reference Extraction - A tool to extract and evaluate references and citations from free-form legal text using LLM/VLMs.

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.

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.

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

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 simple tool to perform parameter sweeps on SLURM clusters.

Build and manage conda environments in compressed image files for efficiency, portability, and reproducibility. Useful on the large parallel filesystems of HPC clusters and supercomputers to avoid e.g. performance and inode issues.

The aim is to update the existing Coast Guard data reduction pipeline. It will be migrated to python3 and extended to support parallel processing. The new pipeline is intended to run on the Effelsberg cluster.

A simple lightweight command line client for ownCloud supporting basic file operations.

Pylint-GitLab integration demo

Information Field Theory for High Contrast Imaging

Python data loading and plotting library for PLUTO static grid