Install rdkit and its dependencies

Install rdkit and its dependencies

Usage

install_rdkit(
  ...,
  envname = "r-rdkit",
  new_env = identical(envname, "r-rdkit")
)

Arguments

...

Other arguments passed to reticulate::py_install().

envname

The name or full path of the environment in which rdkit is installed. Default is r-rdkit.

new_env

Logical. If TRUE, the specified Python environment will be deleted and recreated if it already exists. Defaults to TRUE only when using the default environment name.

Value

Invisibly returns NULL. Primarily used for its side effect of installing the Python package in the specified environment.

Examples

if (FALSE) { # is_installed_rdkit()
install_rdkit()
}