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Authors
Rahul Khorana (0000-0001-8795-1623)
Citation
Khorana, R., (2025). Polyatomic Complexes: A Software Framework for Topologically Accurate Representations of Molecules. Journal of Open Source Software, 10(114), 8828, https://doi.org/10.21105/joss.08828
@article{Khorana2025,
doi = {10.21105/joss.08828},
url = {https://doi.org/10.21105/joss.08828},
year = {2025},
publisher = {The Open Journal},
volume = {10},
number = {114},
pages = {8828},
author = {Khorana, Rahul},
title = {Polyatomic Complexes: A Software Framework for Topologically Accurate Representations of Molecules},
journal = {Journal of Open Source Software}
}
Tags
chemistry molecular machine learning topological data analysis computational chemistry representation learning
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