Package: rcdk
Version: 3.8.2
Date: 2025-11-30
Title: Interface to the 'CDK' Libraries
Authors@R: c(
  person('Rajarshi', 'Guha', ,'rajarshi.guha@gmail.com', role=c('aut',"cph"),
    comment = c(ORCID = "0000-0001-7403-8819")),
  person('Zachary', 'Charlop-Powers', ,'zach.charlop.powers@gmail.com',role=c('cre'),
      comment = c(ORCID = "0000-0001-8816-4680")),
  person('Emma', 'Schymanski', ,'schymane@gmail.com', role=c('ctb'),
      comment = c(ORCID = "0000-0001-6868-8145")),
  person('Egon', 'Willighagen', ,'egon.willighagen@maastrichtuniversity.nl', role=c('ctb'),
      comment = c(ORCID = "0000-0001-7542-0286")))
Depends: rcdklibs (>= 2.9)
Imports: fingerprint, rJava, methods, png, iterators, itertools
Suggests: xtable, RUnit, knitr, rmarkdown, devtools
License: LGPL
URL: https://github.com/CDK-R/cdkr
LazyLoad: yes
LazyData: true
SystemRequirements: Java (>= 8)
BugReports: https://github.com/CDK-R/cdkr/issues
Description: Allows the user to access functionality in the 'CDK', a
        Java framework for cheminformatics. This allows the user to
        load molecules, evaluate fingerprints, calculate molecular
        descriptors and so on. In addition, the 'CDK' API allows the
        user to view structures in 2D.
RoxygenNote: 7.3.3
VignetteBuilder: knitr
Encoding: UTF-8
Config/pak/sysreqs: make default-jdk libpng-dev
Repository: https://cdk-r.r-universe.dev
Date/Publication: 2025-11-30 16:36:40 UTC
RemoteUrl: https://github.com/cdk-r/cdkr
RemoteRef: HEAD
RemoteSha: ecb5eaa5dec5a99484ea9846579525eb11c07809
RemoteSubdir: rcdk
NeedsCompilation: no
Packaged: 2026-07-02 07:12:04 UTC; root
Author: Rajarshi Guha [aut, cph] (ORCID:
    <https://orcid.org/0000-0001-7403-8819>),
  Zachary Charlop-Powers [cre] (ORCID:
    <https://orcid.org/0000-0001-8816-4680>),
  Emma Schymanski [ctb] (ORCID: <https://orcid.org/0000-0001-6868-8145>),
  Egon Willighagen [ctb] (ORCID: <https://orcid.org/0000-0001-7542-0286>)
Maintainer: Zachary Charlop-Powers <zach.charlop.powers@gmail.com>