ANI-1xBB: An ANI-Based Reactive Potential for Small Organic Molecules

https://doi.org/10.1021/acs.jctc.5c00347
Open external identifier URL

journal contribution

posted on 2025-08-28, 16:54 authored by Shuhao Zhang, Roman Zubatyuk, Yinuo Yang, Adrian Roitberg, Olexandr Isayev

This journal contribution is published Open Access by the publisher. Follow the DOI link to retrieve a copy of the full text.

History

Usage metrics

Categories

No categories selected

Keywords

Licence

Exports