MLatom: A program package for quantum chemical research assisted by machine learning
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DOI: 10.1002/jcc.26004
Abstract: MLatom is a program package designed for computationally efficient simulations of atomistic systems with machine‐learning (ML) algorithms. It can be used out‐of‐the‐box as a stand‐alone program with a user‐friendly online manual. The use of MLatom… read more here.
Keywords: program package; machine learning; mlatom program; program ... See more keywords