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    15 repositories

    • qhull

      Public
      Qhull development for www.qhull.org -- Qhull 2020.2 (8.1-alpha1) at https://github.com/qhull/qhull/wiki
      C
      •
      Other
      •196•0•0•0•Updated Oct 29, 2024Oct 29, 2024

    • random123

      Public
      Counter-based random number generators for C, C++ and CUDA.
      C++
      •
      Other
      •16•91•5•3•Updated Feb 15, 2024Feb 15, 2024

    • tss

      Public
      Times Square Sampling
      C++
      •
      Other
      •1•8•0•0•Updated Feb 24, 2023Feb 24, 2023

    • ark

      Public
      DESRES config file format and associated tools
      C++
      •1•2•0•0•Updated Oct 11, 2022Oct 11, 2022

    • msys

      Public
      Tools for preparation and analysis of systems for molecular dynamics.
      C++
      •
      Other
      •7•22•0•0•Updated Aug 31, 2022Aug 31, 2022

    • Technical-Reports

      Public
      D. E. Shaw Research Technical Reports
      Other
      •0•12•0•0•Updated Jul 4, 2022Jul 4, 2022

    • viparr-ffpublic

      Public
      Public domain forcefields for viparr
      Shell
      •
      Other
      •10•17•0•0•Updated Jun 16, 2022Jun 16, 2022

    • DESMILES

      Public
      Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"
      Python
      •
      Other
      •6•19•0•0•Updated Feb 1, 2022Feb 1, 2022

    • fs123

      Public
      fs123 network filesystem
      C++
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      Other
      •4•28•0•0•Updated Nov 16, 2021Nov 16, 2021

    • sns-mp2

      Public
      Python
      •
      Other
      •8•26•0•0•Updated Dec 1, 2020Dec 1, 2020

    • viparr

      Public
      Parameterize chemical systems for Desmond and Anton.
      C++
      •
      Other
      •6•12•1•0•Updated Nov 23, 2020Nov 23, 2020

    • PACBayesHyperOpt

      Public
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•4•0•0•Updated Aug 17, 2020Aug 17, 2020

    • viparr-ff-unpublished

      Public
      Viparr forcefields released without accompanying publication
      Other
      •1•0•0•0•Updated Aug 14, 2020Aug 14, 2020

    • SIMPLEchangepoint

      Public
      Python
      •4•5•0•0•Updated Mar 21, 2016Mar 21, 2016

    • Random123-Boost

      Public
      Proposed Random123 functions for Boost.Random
      C++
      •
      Boost Software License 1.0
      •1•24•0•0•Updated May 27, 2014May 27, 2014