Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation - KIVIRID

Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation

Authors: Wenbin Xu, Karsten Reuter, Mie Andersen

Published: 2022-07-25

DOI: 10.1038/s43588-022-00280-7

Source: Full article

Abstract

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