Read, preprocess, and featurize chemical data using RDKit.

The tidychem package offers a lightweight R interface for accessing RDKit via the RDKit Python API.

Installation

First of all, install RDKit. Make sure it is discoverable by reticulate.

Then install tidychem with:

remotes::install_github("nanxstats/tidychem")

License

tidychem is free and open source software, licensed under GPL-3.