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Authors
Trevor Gokey (0000-0001-7856-1156)
Citation
Gokey, T., (2025). BESMARTS: A toolkit for data-driven force field design using binary-encoded SMARTS. Journal of Open Source Software, 10(109), 6653, https://doi.org/10.21105/joss.06653
@article{Gokey2025,
doi = {10.21105/joss.06653},
url = {https://doi.org/10.21105/joss.06653},
year = {2025},
publisher = {The Open Journal},
volume = {10},
number = {109},
pages = {6653},
author = {Trevor Gokey},
title = {BESMARTS: A toolkit for data-driven force field design using binary-encoded SMARTS},
journal = {Journal of Open Source Software}
}
Tags
cheminformatics graphs forcefields
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This work is licensed under a Creative Commons Attribution 4.0 International License.
