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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
@article{Caldeweyher2021,
doi = {10.21105/joss.03050},
url = {https://doi.org/10.21105/joss.03050},
year = {2021},
publisher = {The Open Journal},
volume = {6},
number = {60},
pages = {3050},
author = {Eike Caldeweyher},
title = {kallisto: A command-line interface to simplify computational modelling and the generation of atomic features},
journal = {Journal of Open Source Software}
}
Tags
Poetry Atomic Features Machine Learning Computational Chemistry Pharmaceutical Science
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