Protein vibrational frequencies dataset: Rapid Prediction of Protein Natural Frequencies using Graph Neural Networks

Dataset for machine learning model, based on graph neural network, to predict protein natural frequencies using Graph Neural Networks. Code: https://github.com/lamm-mit/ProteinMechanicsGNN Paper: Rapid Prediction of Protein Natural Frequencies using Graph Neural Networks Kai Guo and Markus J. Buehler Digital Discovery, 2022, DOI: 10.1039/D1DD00007A

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Massachusetts Institute of Technology
United States

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