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

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