ReproZip
ReproZip: The Reproducibility Packer - Published in JOSS (2016)
Sciris
Sciris: Simplifying scientific software in Python - Published in JOSS (2023)
$hp\mathrm{3D}$
$hp\mathrm{3D}$: A Scalable MPI/OpenMP $hp$-Adaptive Finite Element Software Library for Complex Multiphysics Applications - Published in JOSS (2024)
https://github.com/lukasturcani/stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
lintf2_ether_ana_postproc
Analysis postprocessing utilities for my molecular dynamics simulations of LiTFSI-Ether mixtures
https://github.com/aiidateam/aiida-core
The official repository for the AiiDA code
lockpatterncomplexity.jl
Solving the most complex lock patterns with Julia Language, MiniZinc, and Google OR-Tools.
pararealgpu.jl
A distributed and GPU-based implementation of the Parareal algorithm for parallel-in-time integration of equations of motion.
https://github.com/jkglasbrenner/datamaterials-neighbormodels
A tool for building crystal lattice models with distance-dependent neighbor interactions.
mdtools
Scripts to prepare and analyze molecular dynamics simulations
crackpy
Crack Analysis Tool in Python (CrackPy) - automatic detection and fracture mechanical analysis of (fatigue) cracks using digital image correlation
