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Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics

Fuente: arXiv

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Bibliographic Details
Main Authors:	Pengmei, Zihan, Lorpaiboon, Chatipat, Guo, Spencer C., Weare, Jonathan, Dinner, Aaron R.
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Chemical Physics Computational Physics Quantitative Methods
Online Access:	Acceder al recurso
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