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New version of Cray's xthi code for showing parallel code CPU affinity etc.
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Machine learning software and library for inter-atomic potentials development
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Codes to run "superstructure" a modified version of DBSCAN. See https://rupress.org/jcb/article/220/5/e202010003/211893/Parameter-free-molecular-super-structures
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Statistical Experimental Design for Traveltime Tomography Problems
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A multithreaded, distributed, GPU-accelerated simulator of quantum computers
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Jupyter notebooks for performing the entire pyRBDome analyses.
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