Package: rdkitpyr 0.2.1

rdkitpyr: Task-Oriented Cheminformatics in R Using 'RDKit' via 'Python'

A task-oriented R interface to the 'RDKit' <https://www.rdkit.org> library through its 'Python' API via 'reticulate'. The package offers high-level cheminformatics functionality, including molecule parsing, descriptor calculation, and fingerprint generation without replicating the native structure of 'RDKit'.

Authors:Andrey Samokhin [aut, cre, cph]

rdkitpyr_0.2.1.tar.gz
rdkitpyr_0.2.1.zip(r-4.7-any)rdkitpyr_0.2.1.zip(r-4.6-any)rdkitpyr_0.2.1.zip(r-4.5-any)
rdkitpyr_0.2.1.tgz(r-4.6-any)rdkitpyr_0.2.1.tgz(r-4.5-any)
rdkitpyr_0.2.1.tar.gz(r-4.7-any)rdkitpyr_0.2.1.tar.gz(r-4.6-any)
rdkitpyr_0.2.1.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
rdkitpyr/json (API)

# Install 'rdkitpyr' in R:
install.packages('rdkitpyr', repos = c('https://andreysamokhin.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/andreysamokhin/rdkitpyr/issues

Datasets:

On CRAN:

Conda:

3.00 score 1 stars 287 downloads 12 exports 12 dependencies

Last updated from:498dd846bd. Checks:9 OK. Indexed: yes.

TargetResultTimeFilesSyslog
linux-develOK134
source / vignettesOK165
linux-releaseOK127
macos-releaseOK177
macos-oldrelOK187
windows-develOK74
windows-releaseOK66
windows-oldrelOK95
wasm-releaseOK82

Exports:.IsRdkitAvailableCalculateAllDescriptorsCalculateExactMassCalculateMaccsFingerprintsCalculateMolecularWeightCalculateMorganFingerprintsCalculateRdkitFingerprintsConvertToInchiConvertToInchikeyConvertToSmilesGetPythonInfoParseMolecules

Dependencies:herejsonlitelatticeMatrixpngrappdirsRcppRcppTOMLreticulaterlangrprojrootwithr