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@Article{D4DD00057A, author ="Vargas, Santiago and Gee, Winston and Alexandrova, Anastassia", title ="High-throughput quantum theory of atoms in molecules (QTAIM) for geometric deep learning of molecular and reaction properties", journal ="Digital Discovery", year ="2024", volume ="3", issue ="5", pages ="987-998", publisher ="RSC", doi ="10.1039/D4DD00057A", url ="http://dx.doi.org/10.1039/D4DD00057A" }