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    8 repositories

    • oddt

      Public
      Open Drug Discovery Toolkit
      scoringdockingscreeningpythoncheminformaticsrdkitopenbabel
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •119•419•28•4•Updated Dec 13, 2022Dec 13, 2022

    • rfscorevs

      Public
      RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
      Jupyter Notebook
      •11•48•0•0•Updated Dec 30, 2018Dec 30, 2018

    • rfscorevs_binary

      Public
      RF-Score-VS binary
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •8•30•6•0•Updated Nov 18, 2018Nov 18, 2018

    • notebooks

      Public
      Open Drug Discovery Toolkit (ODDT) Notebooks 101
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •9•19•1•0•Updated Jun 22, 2018Jun 22, 2018

    • jcheminf

      Public
      Code snippets included in JChemInf Article
      Jupyter Notebook
      •3•2•3•0•Updated Aug 9, 2017Aug 9, 2017

    • conda-oddt

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Mar 30, 2017Mar 30, 2017

    • binary

      Public
      Compiling ODDT one-file binary
      Shell
      •1•0•0•0•Updated Oct 24, 2016Oct 24, 2016

    • conda

      Public
      Batchfile
      •1•0•0•0•Updated Dec 4, 2015Dec 4, 2015