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Package: chents
Type: Package
Title: Chemical Entities as R Objects
Version: 0.3.3
Date: 2024-04-05
Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
email = "johannes.ranke@jrwb.de"))
Description: Utilities for dealing with chemical entities and associated
data as R objects. If Python and RDKit (> 2015.03) are installed and
configured for use with 'reticulate', some basic chemoinformatics functions
like the calculation of molecular weight and plotting of chemical
structures in R graphics are available.
Imports:
webchem,
R6,
yaml,
rsvg,
grImport,
reticulate
Suggests:
knitr,
testthat,
covr,
devEMF
License: GPL
LazyLoad: yes
LazyData: yes
Encoding: UTF-8
URL: https://pkgdown.jrwb.de/chents, https://github.com/jranke/chents
Roxygen: list(markdown = TRUE, r6 = TRUE)
RoxygenNote: 7.3.1
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