Author: Santiago Vargas

Prime-throughput Quantum Principle of Atoms in Molecules (QTAIM) for Geometric Deep Finding out of Molecular and Response Homes

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00057A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Santiago Vargas, Winston Gee, Anastassia AlexandrovaWe present a package, Generator, for geometric molecular property prediction based on topological features of quantum mechanical electron density.