ANI-1xBB: An ANI-Based Reactive Potential for Small Organic Molecules
Shuhao Zhang, Roman Zubatyuk, Yinuo Yang, Adrian Roitberg, Olexandr Isayev
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ANI-1xBB: An ANI-Based Reactive Potential for Small Organic Molecules.
Cite This Paper
@article{Zhang2025,
author = {Zhang, Shuhao and Zubatyuk, Roman and Yang, Yinuo and Roitberg, Adrian and Isayev, Olexandr},
title = {ANI-1xBB: An ANI-Based Reactive Potential for Small Organic Molecules},
year = {2025},
journal = {Journal of Chemical Theory and Computation},
volume = {21},
number = {9},
pages = {4365--4374},
doi = {10.1021/acs.jctc.5c00347},
url = {http://dx.doi.org/10.1021/acs.jctc.5c00347},
publisher = {American Chemical Society (ACS)},
highlight = {ANI-1xBB: An ANI-Based Reactive Potential for Small Organic Molecules.},
citations = {10}
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