DOE OSTI · 1677482
A Molecular-MNIST Dataset for Machine Learning Study on Diffraction Imaging and Microscopy
Abstract
An image dataset of 10 different size molecules, where each molecule has 2,000 structural variants, is generated from the 2D cross-sectional projection of Molecular Dynamics trajectories. The purpose of this dataset is to provide a benchmark dataset for the increasing need of machine learning, deep learning and image processing on the study of scattering, imaging and microscopy.
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Zhang, Yan, Farrell, Steve, Crowley, Michael, Makowski, Lee, Deslippe, Jack. 2020-04-23. A Molecular-MNIST Dataset for Machine Learning Study on Diffraction Imaging and Microscopy. https://doi.org/10.1364/translational.2020.jth2a.28
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