rcdk - Interface to the 'CDK' Libraries

Allows the user to access functionality in the 'CDK', a Java framework for chemoinformatics. 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.

Last updated 1 years ago

5.76 score 1 stars 10 packages 270 scripts 2.4k downloads

phylocanvas - Interactive Phylogenetic Trees Using the 'Phylocanvas' JavaScript Library

Create and customize interactive phylogenetic trees using the 'phylocanvas' JavaScript library and the 'htmlwidgets' package. These trees can be used directly from the R console, from 'RStudio', in Shiny apps, and in R Markdown documents. See <http://phylocanvas.org/> for more information on the 'phylocanvas' library.

Last updated 7 years ago

htmlwidgetsphylogeny

5.40 score 9 stars 28 scripts 147 downloads

rcdklibs - The CDK Libraries Packaged for R

An R interface to the Chemistry Development Kit, a Java library for chemoinformatics. Given the size of the library itself, this package is not expected to change very frequently. To make use of the CDK within R, it is suggested that you use the 'rcdk' package. Note that it is possible to directly interact with the CDK using 'rJava'. However 'rcdk' exposes functionality in a more idiomatic way. The CDK library itself is released as LGPL and the sources can be obtained from <https://github.com/cdk/cdk>.

Last updated 9 months ago

5.39 score 1 stars 11 packages 20 scripts 2.5k downloads

msaR - Multiple Sequence Alignment for R Shiny

Visualises multiple sequence alignments dynamically within the Shiny web application framework.

Last updated 3 years ago

alignmenthtmlwidgetsmultiplesequence

5.31 score 8 stars 51 scripts 349 downloads