Zincware

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40 repositories

hillclimber
Public
Python
•
GNU Lesser General Public License v3.0
•0•0•2•0•Updated Jan 5, 2026Jan 5, 2026
ZnDraw
Public
Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)
python threejs molecule-viewer
Python
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Eclipse Public License 2.0
•5•47•72•1•Updated Dec 23, 2025Dec 23, 2025
znfields
Public
Python
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Apache License 2.0
•0•1•2•1•Updated Dec 22, 2025Dec 22, 2025
ZnTrack
Public
Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.
python git data-science machine-learning developer-tools reproducibility data-version-control dvc
Python
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Apache License 2.0
•4•55•119•12•Updated Dec 22, 2025Dec 22, 2025
molify
Public
Create atomistic structures with ASE, rdkit and packmol
rdkit packmol ase
Python
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Apache License 2.0
•1•21•8•1•Updated Dec 22, 2025Dec 22, 2025
laufband
Public
Parallel Iteration with File-Based Coordination
Python
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MIT License
•0•7•12•3•Updated Dec 22, 2025Dec 22, 2025
paraffin
Public
Python
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Apache License 2.0
•2•8•24•3•Updated Dec 22, 2025Dec 22, 2025
IPSuite
Public
Machine Learned Interatomic Potential Tools
machine-learning physics molecular-dynamics zntrack
Python
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Eclipse Public License 2.0
•12•24•66•19•Updated Dec 22, 2025Dec 22, 2025
ZnSocket
Public
Python implementation of a Redis-compatible API using websockets.
redis database nosql key-value websocket cache socketio low-latency
Python
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Apache License 2.0
•2•5•27•4•Updated Dec 22, 2025Dec 22, 2025
ZnJSON
Public
Package to Encode/Decode some common file formats to json
python serialization json deserialization
Python
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Apache License 2.0
•1•4•6•3•Updated Dec 22, 2025Dec 22, 2025
ZnFlow
Public
A general purpose framework for building and running computational graphs.
python workflow python3 networkx computational-graphs networkx-graph directed-acyclic-graph
Python
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Apache License 2.0
•0•6•19•5•Updated Dec 22, 2025Dec 22, 2025
ZnH5MD
Public
ZnH5MD - High Performance Interface for H5MD Trajectories
science molecular-dynamics h5py trajectory-analysis h5md tensorflow-datasets
Python
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Apache License 2.0
•0•13•21•3•Updated Dec 22, 2025Dec 22, 2025
vscode-zndraw
Public
TypeScript
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MIT License
•0•0•0•0•Updated Dec 14, 2025Dec 14, 2025
asebytes
Public
Python
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Apache License 2.0
•0•1•0•0•Updated Dec 13, 2025Dec 13, 2025
massband
Public
Python
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MIT License
•1•1•5•3•Updated Dec 5, 2025Dec 5, 2025
aserpc
Public
Python
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MIT License
•0•1•0•0•Updated Dec 4, 2025Dec 4, 2025
rclone-filesystem
Public
Python
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Apache License 2.0
•0•1•0•1•Updated Nov 17, 2025Nov 17, 2025
ZnVis
Public
A visualisation engine for particle simulations
visualization particles 3d open3d
Python
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Eclipse Public License 2.0
•3•10•8•2•Updated Oct 12, 2025Oct 12, 2025
MDSuite
Public
A post-processing engine for particle simulations
python tensorflow molecular-dynamics hdf5 particle-simulation
Python
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Eclipse Public License 2.0
•10•46•60•10•Updated Aug 20, 2025Aug 20, 2025
ZnPINNLab
Public
Jupyter Notebook
•0•1•4•0•Updated Jun 30, 2025Jun 30, 2025
znmdakit
Public
Python
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Apache License 2.0
•0•1•8•1•Updated Jun 9, 2025Jun 9, 2025
ips-mace
Public archive
IPSuite node(s) for the MACE model
Python
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Eclipse Public License 2.0
•0•0•1•5•Updated Feb 11, 2025Feb 11, 2025
papyrus
Public
Record your models.
Python
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Eclipse Public License 2.0
•0•4•1•1•Updated Jan 22, 2025Jan 22, 2025
ZnNL
Public
A Python package for studying neural learning
data-science physics mathematics machinelearning data-selection
Python
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Eclipse Public License 2.0
•2•8•21•6•Updated Dec 18, 2024Dec 18, 2024
ips-kernelselect
Public
Python
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Eclipse Public License 2.0
•0•0•0•0•Updated Nov 27, 2024Nov 27, 2024
ZnInit
Public archive
Python
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Apache License 2.0
•0•0•4•3•Updated Nov 11, 2024Nov 11, 2024
ips-nequip
Public archive
IPSuite node(s) for the NEquIP model
Python
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Eclipse Public License 2.0
•0•0•1•1•Updated Sep 4, 2024Sep 4, 2024
dask4dvc
Public archive
Use dask to run the DVC Graph
Python
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Apache License 2.0
•0•16•13•6•Updated Jul 18, 2024Jul 18, 2024
ipsuite-core
Public archive
Python
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Apache License 2.0
•0•1•0•6•Updated Jul 15, 2024Jul 15, 2024
ZnFrame
Public archive
Python
•0•0•1•3•Updated Jun 17, 2024Jun 17, 2024