cifkit

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Analyze CIF crystal structures with cifkit, generate shareable Ouro reports, extract Oliynyk elemental descriptors, and summarize ZIP archives of CIF files as datasets.

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·v1.0.0

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

Sangjoon Lee & Anton O. Oliynyk · Journal of Open Source Software · 2024

Paperdoi.org/10.21105/joss.07205 Repositorygithub.com/bobleesj/cifkit Sourcebobleesj.github.io/cifkit/intro.html

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cifkit

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