Dataset for Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources
Ward, Logan; Pauloski, J. Gregory; Hayot-Sasson, Valerie; Chard, Ryan; Babuji, Yadu; Sivaraman, Ganesh; Choudhury, Sutanay; Chard, Kyle; Thakur, Rajeev; Foster, Ian
Logan Ward (email@example.com)
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The data and software needed leveraging multiple computing resources together to design molecules and fit interatomic potentials. We also include the data from runs of the application described in our associated paper.