emle-engine: A Flexible Electrostatic Machine Learning Embedding Package for Multiscale Molecular Dynamics Simulations

Kirill Zinovjev*, Lester O Hedges, Rubén Montagud Andreu, Christopher Woods, Iñaki Tuñón, Marc W van der Kamp*

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

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