kallisto: A command-line interface to simplify computational modelling and the generation of atomic features

Python Submitted 05 February 2021Published 15 April 2021
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Editor: @richardjgowers (all papers)
Reviewers: @rmeli (all reviews), @Sulstice (all reviews)

Authors

Eike Caldeweyher (0000-0002-3985-595X)

Citation

Caldeweyher, E., (2021). kallisto: A command-line interface to simplify computational modelling and the generation of atomic features. Journal of Open Source Software, 6(60), 3050, https://doi.org/10.21105/joss.03050

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Poetry Atomic Features Machine Learning Computational Chemistry Pharmaceutical Science

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ISSN 2475-9066