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Package: chents
Type: Package
Title: Chemical Entities as R Objects
Version: 0.3.1
Date: 2022-11-11
Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
email = "jranke@uni-bremen.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. For plotting, you need
grConvert (https://sjp.co.nz/projects/grconvert) which is not on CRAN.
Imports:
webchem,
R6,
yaml,
rsvg,
grImport
Suggests:
knitr,
testthat,
reticulate,
covr,
devEMF
License: GPL
LazyLoad: yes
LazyData: yes
Encoding: UTF-8
URL: https://github.com/jranke/chents
RoxygenNote: 7.2.1
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