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32 repositories
ZnTrack
PublicCreate, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.papyrus
PublicIPSuite
PublicMachine Learned Interatomic Potential Tools- A post-processing engine for particle simulations
rdkit2ase
PublicZnJSON
PublicPackage to Encode/Decode some common file formats to jsonZnH5MD
PublicZnH5MD - High Performance Interface for H5MD Trajectories- A general purpose framework for building and running computational graphs.
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)
ips-mace
Public- A Python package for studying neural learning
ips-nequip
Publicdask4dvc
Public archiveipsuite-core
Public archiveZnPINNLab
PublicZnFrame
Public archiveaaargs
Publicznlib
PublicZnSlice
Public- A python package using machine learning to study symmetry.
.github
PublicDataHub
Publicdot4dict
Public