zincware

znlib

Last released Nov 22, 2022

dask4dvc

Last released Apr 28, 2023

Use dask to run the DVC graph

rdkit2ase

Last released Jan 3, 2024

interface between rdkit and ASE

znframe

Last released Jan 19, 2024

ZnFrame - ASE-like Interface based on dataclasses

ZnTrack

Last released May 14, 2024

Create, Run and Benchmark DVC Pipelines in Python

SymDet

Last released Aug 18, 2021

Symmetry detection and Lie generator extraction.

ipsuite

Last released Apr 19, 2024

A suite of tools for machine learned interatomic potentials.

znjson

Last released May 29, 2024

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

znipy

Last released Feb 8, 2022

Easy imports from Jupyter Notebooks

zninit

Last released Sep 21, 2023

Descriptor based dataclass implementation

zndraw

Last released Jun 27, 2024

Display and Edit Molecular Structures and Trajectories in the Browser.

supercharge

Last released Jan 4, 2022

Expand Python Super Capabilities

ZnVis

Last released Mar 22, 2023

Visualization of particle trajectories.

znflow

Last released Feb 28, 2024

A general purpose framework for building and running computational graphs.

znslice

Last released Feb 27, 2023

Cache, advanced slicing and lazy loading for __getitem__

znh5md

Last released Jul 16, 2024

ASE Interface for the H5MD format.

mace-models

Last released Apr 22, 2024

Access pre-trained MACE models

dot4dict

Last released Feb 23, 2022

A Python Package to enable dot-notation on dictionaries

MDSuite

Last released Aug 31, 2022

A postprocessing tool for molecular dynamics simulations.

aaargs

Last released Nov 8, 2022

attribute autocompletion and argument parsing