Zincware

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32 repositories

ZnH5MD
Public
ZnH5MD - High Performance Interface for H5MD Trajectories
science molecular-dynamics h5py trajectory-analysis h5md tensorflow-datasets
Python
•
Apache License 2.0
•0•7•16•3•Updated Dec 2, 2024Dec 2, 2024
ZnDraw
Public
Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)
python threejs molecule-viewer
TypeScript
•
Eclipse Public License 2.0
•4•34•89•7•Updated Dec 1, 2024Dec 1, 2024
IPSuite
Public
Machine Learned Interatomic Potential Tools
machine-learning physics molecular-dynamics zntrack
Python
•
Eclipse Public License 2.0
•11•19•69•21•Updated Nov 30, 2024Nov 30, 2024
ZnTrack
Public
Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.
git data-science machine-learning developer-tools reproducibility data-version-control dvc python
Python
•
Apache License 2.0
•5•49•140•31•Updated Nov 28, 2024Nov 28, 2024
MDSuite
Public
A post-processing engine for particle simulations
tensorflow molecular-dynamics hdf5 particle-simulation python
Python
•
Eclipse Public License 2.0
•8•38•60•8•Updated Nov 28, 2024Nov 28, 2024
ips-kernelselect
Public
Python
•
Eclipse Public License 2.0
•0•0•0•0•Updated Nov 27, 2024Nov 27, 2024
paraffin
Public
Python
•
Apache License 2.0
•0•6•11•0•Updated Nov 27, 2024Nov 27, 2024
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•2•16•1•Updated Nov 26, 2024Nov 26, 2024
ZnJSON
Public
Package to Encode/Decode some common file formats to json
serialization deserialization python json
Python
•
Apache License 2.0
•1•3•5•3•Updated Nov 25, 2024Nov 25, 2024
znfields
Public
Python
•
Apache License 2.0
•0•1•2•1•Updated Nov 25, 2024Nov 25, 2024
rdkit2ase
Public
Python
•
Apache License 2.0
•1•9•5•1•Updated Nov 25, 2024Nov 25, 2024
ZnFlow
Public
A general purpose framework for building and running computational graphs.
workflow networkx computational-graphs networkx-graph directed-acyclic-graph python python3
Python
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Apache License 2.0
•0•6•18•4•Updated Nov 25, 2024Nov 25, 2024
ips-mace
Public
IPSuite node(s) for the MACE model
Python
•
Eclipse Public License 2.0
•0•0•1•2•Updated Nov 18, 2024Nov 18, 2024
ZnInit
Public archive
Python
•
Apache License 2.0
•1•0•4•4•Updated Nov 11, 2024Nov 11, 2024
papyrus
Public
Record your models.
Python
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Eclipse Public License 2.0
•0•3•1•1•Updated Sep 25, 2024Sep 25, 2024
ZnVis
Public
A visualisation engine for particle simulations
visualization particles 3d open3d
Python
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Eclipse Public License 2.0
•3•10•6•2•Updated Sep 18, 2024Sep 18, 2024
ips-nequip
Public
IPSuite node(s) for the NEquIP model
Python
•
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
•
Apache License 2.0
•0•16•13•6•Updated Jul 18, 2024Jul 18, 2024
ipsuite-core
Public archive
Python
•
Apache License 2.0
•0•1•0•6•Updated Jul 15, 2024Jul 15, 2024
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
•1•6•21•6•Updated Jul 11, 2024Jul 11, 2024
ZnPINNLab
Public
Jupyter Notebook
•0•0•4•0•Updated Jun 24, 2024Jun 24, 2024
ZnFrame
Public archive
Python
•0•0•1•3•Updated Jun 17, 2024Jun 17, 2024
aaargs
Public
attribute autocompletion and argument parsing
python parser
Python
•
Apache License 2.0
•0•4•0•1•Updated Mar 20, 2024Mar 20, 2024
znlib
Public
The znlib package
Python
•
Apache License 2.0
•0•3•1•6•Updated Mar 9, 2023Mar 9, 2023
ZnSlice
Public
Python
•
Apache License 2.0
•0•1•2•1•Updated Feb 27, 2023Feb 27, 2023
SymSuite
Public
A python package using machine learning to study symmetry.
machine-learning symmetry group-theory lie-algebra
Python
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Eclipse Public License 2.0
•0•8•0•3•Updated Sep 14, 2022Sep 14, 2022
.github
Public
Public organisation repo
GNU General Public License v3.0
•0•0•0•0•Updated Jun 24, 2022Jun 24, 2022
ZincHub
Public
Api to access the zincwarecode Datahub.
Python
•
Eclipse Public License 2.0
•0•0•2•0•Updated Mar 23, 2022Mar 23, 2022
DataHub
Public
testing
0•1•1•0•Updated Mar 15, 2022Mar 15, 2022
dot4dict
Public
Access dictionary keys with a dot
dot4dict dictdot dict2dot python
Python
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Apache License 2.0
•0•0•0•0•Updated Feb 23, 2022Feb 23, 2022