Dan Elton

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icon company Mass General Hospital icon location Boston, Massachusetts icon location https://www.moreisdifferent.com

Results 3 repositories owned by Dan Elton

mmltoolkit

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Molecular machine learning toolkit

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Machine-Learning-Energetic-Molecules-Notebooks

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Python Jupyter Notebooks to reproduce the results in our paper, "Applying machine learning techniques to predict the properties of energetic materials"

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PhononSED

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Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors

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