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ASRP NDIP tool for Black Box Optimization of GSAS2 Refinements using Optuna Framework
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Moreland, Ken / pv-tutorial-olcf-2022
MIT LicenseExample Hugo site using GitLab Pages: https://pages.gitlab.io/hugo
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Tool to show how to generate the histogram structure of S(Q) for McViNE input
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Mukherjee, Debangshu / Kinga Steels 4D-STEM
MIT LicenseUpdated -
Example of strided rocFFT C2C transforms in Fortran
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Rogers, David / sars_docking
Creative Commons Attribution 4.0 InternationalSummary secondary data and scripts for working with SARS-Cov2 gigadocking dataset: https://dx.doi.org/10.13139/OLCF/1783186
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NDIP / Tool Sources / Single Crystal Diffraction / NeuXtalViz
GNU General Public License v3.0 or laterUpdated -
Brown, Joshua / zambeze
MIT LicenseUpdated -
Kharazi, Tyler / xacc
Eclipse Public License 1.0Updated