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    11 repositories

    • htsohm

      Public
      Python
      •
      MIT License
      •6•0•0•2•Updated Feb 25, 2022Feb 25, 2022

    • functionaliseMOF

      Public
      Python
      •3•0•0•0•Updated Dec 11, 2020Dec 11, 2020

    • trajectory-analysis-redux

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

    • ames_qsar

      Public
      This folder contains basic code for the ames test QSAR developed by Trevor Sleight and Caitlin Sexton Summer 2020
      Python
      •
      MIT License
      •1•0•0•1•Updated Nov 23, 2020Nov 23, 2020

    • industry-software-practices

      Public
      Shell
      •14•1•0•15•Updated Nov 23, 2020Nov 23, 2020

    • LAMMPS_tools

      Public
      Python
      •2•0•0•0•Updated Nov 2, 2020Nov 2, 2020

    • defects

      Public
      Python
      •2•0•0•1•Updated Nov 1, 2020Nov 1, 2020

    • canela

      Public
      python package of CANELa tools to setup, track, and analyze comp chem calculations
      Python
      •6•0•0•0•Updated Oct 29, 2020Oct 29, 2020

    • plepy

      Public
      Python
      •
      MIT License
      •3•1•0•0•Updated Oct 26, 2020Oct 26, 2020

    • python_mcmc

      Public
      Python
      •0•0•0•0•Updated Oct 19, 2020Oct 19, 2020

    • extramath

      Public
      Python
      •0•0•0•0•Updated Sep 21, 2020Sep 21, 2020