https://dub-signaling.com/inde....x.php/the-effects-as
An integral step up the development of ANN potentials is to portray atomic coordinates as suitable inputs for a neural community, generally described as fingerprints. The accuracy and effectiveness associated with the ANN potentials rely strongly regarding the choice of these fingerprints. Right here, we suggest an optimization method of atomic fingerprints to improve the overall performance of ANN potentials. Especially, a collection of fingerprints
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