Learning Atomic Multipoles: Prediction of the Electrostatic Potential with Equivariant Graph Neural Networks.

Details

Language :

English

ISSN :

15499618

Volume :

18

Issue :

3

Database :

Supplemental Index

Journal :

Journal of Chemical Theory & Computation

Publication Type :

Academic Journal

Accession number :

155998458

Full Text :

https://doi.org/10.1021/acs.jctc.1c01021