Zincware

zntrack

Last released Sep 22, 2023

Create, Run and Benchmark DVC Pipelines in Python

zninit

Last released Sep 21, 2023

Descriptor based dataclass implementation

znflow

Last released Sep 21, 2023

A general purpose framework for building and running computational graphs.

zndraw

Last released Sep 21, 2023

Display and Edit Molecular Structures and Trajectories in the Browser.

rdkit2ase

Last released Aug 16, 2023

interface between rdkit and ASE

ipsuite

Last released Jun 12, 2023

A suite of tools for machine learned interatomic potentials.

znh5md

Last released May 16, 2023

High Performance Interface for H5MD Trajectories

dask4dvc

Last released Apr 28, 2023

Use dask to run the DVC graph

ZnVis

Last released Mar 22, 2023

Visualization of particle trajectories.

znjson

Last released Mar 10, 2023

A Python Package to Encode/Decode some common file formats to json

znslice

Last released Feb 27, 2023

Cache, advanced slicing and lazy loading for __getitem__

znlib

Last released Nov 22, 2022

aaargs

Last released Nov 8, 2022

attribute autocompletion and argument parsing

MDSuite

Last released Aug 31, 2022

A postprocessing tool for molecular dynamics simulations.

dot4dict

Last released Feb 23, 2022

A Python Package to enable dot-notation on dictionaries

znipy

Last released Feb 8, 2022

Easy imports from Jupyter Notebooks

supercharge

Last released Jan 4, 2022

Expand Python Super Capabilities

SymDet

Last released Aug 18, 2021

Symmetry detection and Lie generator extraction.