Published March 11, 2022 | Version 0
Dataset Open

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

Authors/Creators

  • 1. MIT

Description

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

Files

all_proteins_freqs_no_ratios.zip

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