MLatom: A program package for quantum chemical research assisted by machine learning

Dral, PO

Dral, PO (reprint author), Max Planck Inst Kohlenforsch, Kaiser Wilhelm Pl 1, D-45470 Mulheim, Germany.

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019; 40 (26): 2339

Abstract

MLatom is a program package designed for computationally efficient simulations of atomistic systems with machine-learning (ML) algorithms. It can be u......

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