JOSS Papers: crystal structure

All Papers
3192
 Published Papers
2842
 Active Papers
350
published Published 2 months ago

cifkit: A Python package for coordination geometry and atomic site analysis

Python Jupyter Notebook
@bobleesj
10.21105/joss.07205
published Published 8 months ago

matbench-genmetrics: A Python library for benchmarking crystal structure generative models using time-based splits of Materials Project structures

Jupyter Notebook Mathematica Python
@sgbaird
10.21105/joss.05618
published Published 12 months ago

Chitin Builder: a VMD tool for the generation of structures of chitin molecular crystals for atomistic simulations

Tcl Rich Text Format
@jfaraudo
10.21105/joss.05771
published Published over 2 years ago

xtal2png: A Python package for representing crystal structure as PNG files

Mathematica Python
@sgbaird
10.21105/joss.04528
published Published about 4 years ago

matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations

Python
@ml-evs
10.21105/joss.02563
Displaying 5 papers

Journal of Open Source Software is an affiliate of the Open Source Initiative.

Journal of Open Source Software is part of Open Journals, which is a NumFOCUS-sponsored project.

Table of Contents
Public user content licensed CC BY 4.0 unless otherwise specified.
ISSN 2475-9066