Store the environment in a package

You may store your configurations in a package's environment folder. They should use Conda YAML format. You can create an environment YAML manually or export it form your existing Conda environment.

If the environment tag in the script header is not specified, the script uses the default configuration.

tip

Here is an example of configuration for the Datagrok public repository. Also, a package can define its own configurations as well (see examples).

This is how to define the "Chemprop" environment in the script header:

#environment: Chemprop

In this case, the environment Chemprop should be specified in a file environments/Chemprop.yaml inside the package where this script belongs.

Datagrok distinguishes package environments by their names. Datagrok will reuse a previously created environment for all subsequent runs with no delay.