HIGHLIGHTS
- who: Sajjad Heydari from the University of Exeter, Exeter , QF, UK have published the Article: Transferring chemical and energetic knowledge between molecular systems with machine learning, in the Journal: (JOURNAL) of 24/05/2022
- what: The authors aimed at the classification of low and high free-energy conformations. The authors demonstrate the ability of the proposed hypergraph neural network (HNN) on a set of transfer learning experiments. The authors show a remarkable classification performance quantified by an Area Under the Curve (AUC) of 0.92. In Fig 4 the authors report a selection of possible . . .
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