Repositories list

• ZnDraw

  Public
  Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)

  pythonthreejsmolecule-viewer

  pythonthreejsmolecule-viewer

  Python

  •

  Eclipse Public License 2.0

  •55 forks•4949 stars•8181 issues•66 pull requests•Updated Apr 17, 2026Apr 17, 2026

• molify

  Public
  Create atomistic structures with ASE, rdkit and packmol

  rdkitpackmolase

  rdkitpackmolase

  Python

  •

  Apache License 2.0

  •22 forks•2424 stars•77 issues•99 pull requests•Updated Apr 14, 2026Apr 14, 2026

• asebytes

  Public
  Python

  •

  Apache License 2.0

  •00 forks•11 star•11 issue•88 pull requests•Updated Apr 14, 2026Apr 14, 2026

• rclone-filesystem

  Public
  Python

  •

  Apache License 2.0

  •00 forks•22 stars•00 issues•99 pull requests•Updated Apr 14, 2026Apr 14, 2026

• IPSuite

  Public
  Machine Learned Interatomic Potential Tools

  machine-learningphysicsmolecular-dynamics+ 1

  machine-learningphysicsmolecular-dynamicszntrack

  Python

  •

  Eclipse Public License 2.0

  •1313 forks•2525 stars•6666 issues•3434 pull requests•Updated Apr 14, 2026Apr 14, 2026

• znfields

  Public
  Python

  •

  Apache License 2.0

  •00 forks•11 star•22 issues•11 pull request•Updated Apr 13, 2026Apr 13, 2026

• paraffin

  Public
  Python

  •

  Apache License 2.0

  •22 forks•88 stars•2424 issues•33 pull requests•Updated Apr 13, 2026Apr 13, 2026

• laufband

  Public
  Parallel Iteration with File-Based Coordination

  Python

  •

  MIT License

  •00 forks•77 stars•1212 issues•33 pull requests•Updated Apr 13, 2026Apr 13, 2026

• ZnTrack

  Public
  Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.

  pythongitdata-science+ 5

  pythongitdata-sciencemachine-learningdeveloper-toolsreproducibilitydata-version-controldvc

  Python

  •

  Apache License 2.0

  •44 forks•5757 stars•119119 issues•1212 pull requests•Updated Apr 13, 2026Apr 13, 2026

• ZnH5MD

  Public
  ZnH5MD - High Performance Interface for H5MD Trajectories

  sciencemolecular-dynamicsh5py+ 3

  sciencemolecular-dynamicsh5pytrajectory-analysish5mdtensorflow-datasets

  Python

  •

  Apache License 2.0

  •00 forks•1414 stars•2121 issues•33 pull requests•Updated Apr 13, 2026Apr 13, 2026

• ZnJSON

  Public
  Package to Encode/Decode some common file formats to json

  pythonserializationjson+ 1

  pythonserializationjsondeserialization

  Python

  •

  Apache License 2.0

  •11 fork•44 stars•66 issues•33 pull requests•Updated Apr 13, 2026Apr 13, 2026

• ZnFlow

  Public
  A general purpose framework for building and running computational graphs.

  pythonworkflowpython3+ 4

  pythonworkflowpython3networkxcomputational-graphsnetworkx-graphdirected-acyclic-graph

  Python

  •

  Apache License 2.0

  •00 forks•66 stars•1919 issues•55 pull requests•Updated Apr 13, 2026Apr 13, 2026

• hillclimber

  Public
  Python

  •

  GNU Lesser General Public License v3.0

  •00 forks•11 star•33 issues•88 pull requests•Updated Apr 8, 2026Apr 8, 2026

• ZnVis

  Public
  A visualisation engine for particle simulations

  visualizationparticles3d+ 1

  visualizationparticles3dopen3d

  Python

  •

  Eclipse Public License 2.0

  •22 forks•1010 stars•77 issues•11 pull request•Updated Apr 8, 2026Apr 8, 2026

• vscode-zndraw

  Public
  TypeScript

  •

  MIT License

  •00 forks•00 stars•11 issue•22 pull requests•Updated Apr 7, 2026Apr 7, 2026

• massband

  Public
  Python

  •

  MIT License

  •11 fork•11 star•77 issues•55 pull requests•Updated Mar 17, 2026Mar 17, 2026

• ZnSocket

  Public archive
  Python implementation of a Redis-compatible API using websockets.

  redisdatabasenosql+ 5

  redisdatabasenosqlkey-valuewebsocketcachesocketiolow-latency

  Python

  •

  Apache License 2.0

  •22 forks•55 stars•2727 issues•44 pull requests•Updated Jan 20, 2026Jan 20, 2026

• aserpc

  Public
  Python

  •

  MIT License

  •00 forks•11 star•00 issues•00 pull requests•Updated Dec 4, 2025Dec 4, 2025

• MDSuite

  Public
  A post-processing engine for particle simulations

  pythontensorflowmolecular-dynamics+ 2

  pythontensorflowmolecular-dynamicshdf5particle-simulation

  Python

  •

  Eclipse Public License 2.0

  •1010 forks•4646 stars•6060 issues•1010 pull requests•Updated Aug 20, 2025Aug 20, 2025

• ZnPINNLab

  Public
  Jupyter Notebook

  •00 forks•11 star•44 issues•00 pull requests•Updated Jun 30, 2025Jun 30, 2025

• znmdakit

  Public
  Python

  •

  Apache License 2.0

  •00 forks•11 star•88 issues•11 pull request•Updated Jun 9, 2025Jun 9, 2025

• ips-mace

  Public archive
  IPSuite node(s) for the MACE model

  Python

  •

  Eclipse Public License 2.0

  •00 forks•00 stars•11 issue•55 pull requests•Updated Feb 11, 2025Feb 11, 2025

• papyrus

  Public
  Record your models.

  Python

  •

  Eclipse Public License 2.0

  •00 forks•44 stars•11 issue•11 pull request•Updated Jan 22, 2025Jan 22, 2025

• ZnNL

  Public
  A Python package for studying neural learning

  data-sciencephysicsmathematics+ 2

  data-sciencephysicsmathematicsmachinelearningdata-selection

  Python

  •

  Eclipse Public License 2.0

  •22 forks•88 stars•2121 issues•66 pull requests•Updated Dec 18, 2024Dec 18, 2024

• ips-kernelselect

  Public
  Python

  •

  Eclipse Public License 2.0

  •00 forks•00 stars•00 issues•00 pull requests•Updated Nov 27, 2024Nov 27, 2024

• ZnInit

  Public archive
  Python

  •

  Apache License 2.0

  •00 forks•00 stars•44 issues•33 pull requests•Updated Nov 11, 2024Nov 11, 2024

• ips-nequip

  Public archive
  IPSuite node(s) for the NEquIP model

  Python

  •

  Eclipse Public License 2.0

  •00 forks•00 stars•11 issue•11 pull request•Updated Sep 4, 2024Sep 4, 2024

• dask4dvc

  Public archive
  Use dask to run the DVC Graph

  Python

  •

  Apache License 2.0

  •00 forks•1616 stars•1313 issues•66 pull requests•Updated Jul 18, 2024Jul 18, 2024

• ipsuite-core

  Public archive
  Python

  •

  Apache License 2.0

  •00 forks•11 star•00 issues•66 pull requests•Updated Jul 15, 2024Jul 15, 2024

• ZnFrame

  Public archive
  Python

  •00 forks•00 stars•11 issue•33 pull requests•Updated Jun 17, 2024Jun 17, 2024