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@CDK-R CDK-R: CDK Integration with R

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    7 repositories

    • depict

      Public
      depict package for drawing molecules in R
      visualizationchemistrycdk
      R
      •1•11•3•0•Updated Mar 5, 2024Mar 5, 2024

    • cdkr

      Public
      Integrating R and the CDK
      javarcdk
      R
      •27•42•25•0•Updated Mar 4, 2024Mar 4, 2024

    • rcdklibs

      Public
      An R wrapper around the CDK libraries
      Makefile
      •3•1•1•0•Updated Mar 3, 2024Mar 3, 2024

    • fingerprint

      Public
      An R package to support operations on molecular fingerprint data
      R
      •
      Apache License 2.0
      •0•0•1•0•Updated Oct 16, 2022Oct 16, 2022

    • rinchi

      Public
      An R wrapper around the InChI functionality provided by the rcdk
      R
      •2•1•2•0•Updated Apr 21, 2020Apr 21, 2020

    • rpubchem

      Public
      An R interface to the PubChem Compound and Bioassay Resource
      R
      •
      Apache License 2.0
      •2•0•5•0•Updated Nov 5, 2019Nov 5, 2019

    • rlychi

      Public
      Compute Layered Chemical Identifier (LyChI) Strings for Molecules
      R
      •0•0•0•0•Updated Nov 29, 2018Nov 29, 2018