JOSS Papers: reviewed by @LIVazquezS

Published Papers

published Published 6 months ago

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

Python

10.21105/joss.08341

published Published 9 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

10.21105/joss.06616

published Published about 2 years ago

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

Python Jupyter Notebook

10.21105/joss.05989

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