JOSS Papers: crystal structure

Published Papers

published Published almost 2 years ago

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

Python Jupyter Notebook

10.21105/joss.07205

published Published over 2 years ago

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

Jupyter Notebook Mathematica Python

10.21105/joss.05618

published Published over 2 years ago

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

Tcl Rich Text Format

10.21105/joss.05771

published Published about 4 years ago

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

Mathematica Python

10.21105/joss.04528

published Published almost 6 years ago

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

Python

10.21105/joss.02563

Displaying 5 papers

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