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
NeedsCompilation: no
Packaged: 2026-10-05 12:27:39 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>
Config/pak/sysreqs: default-jdk
Repository: https://cran.r-universe.dev
Date/Publication: 2025-11-30 16:40:08 UTC
RemoteUrl: https://github.com/cran/rcdk
RemoteRef: HEAD
RemoteSha: 0128e4611ab0d9034eaad0122bf896ecdcf13e0c