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@mordred-descriptor mordred-descriptor

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    5 repositories

    • mordred

      Public
      a molecular descriptor calculator
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •114•481•47•8•Updated Feb 7, 2024Feb 7, 2024

    • mordred-web

      Public
      mordred web interface
      TypeScript
      •8•17•7•18•Updated Dec 9, 2022Dec 9, 2022

    • sqm

      Public
      AmberTools sqm (modified)
      Fortran
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jun 18, 2019Jun 18, 2019

    • documentation

      Public
      http://mordred-descriptor.github.io/documentation/master
      HTML
      •0•0•0•0•Updated Jun 5, 2019Jun 5, 2019

    • conda-recipes

      Public
      dependencies
      Shell
      •0•0•0•0•Updated Mar 12, 2019Mar 12, 2019
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