JOSS Papers: reviewed by @LIVazquezS

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published Published 3 months ago

ChemInformant: A Robust and Workflow-Centric Python Client for High-Throughput PubChem Access

Python
@HzaCode
10.21105/joss.08341
published Published 7 months ago

pengWann: Descriptors of chemical bonding from Wannier functions

Rust Python
@PatrickJTaylor
10.21105/joss.07890
published Published over 1 year ago

IonDiff: command-line tool to identify ionic diffusion events and hopping correlations in molecular dynamics simulations

Python
@IonRepo
10.21105/joss.06616
published Published almost 2 years ago

FlowerMD: Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics

Python Jupyter Notebook
@marjanalbouye
10.21105/joss.05989
Displaying 4 papers

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ISSN 2475-9066