Merge branch 'master' of https://github.com/MolecularAI/DockStreamCommunity

Author: CMargreitter

README.md

@@ -20,6 +20,11 @@ This repository is meant to store `Jupyter Notebook` tutorials and documentation
 
 Note, that the `CCDC` package, the `OpenEye` toolkit and `Schrodinger`'s tools require you to obtain the respective software from those vendors.
 
+## Using DockStream with REINVENT
+DockStream provides a flexible implemenation of molecular docking as a scoring function component in REINVENT. The generative agent is able to gradually
+generate compounds that satisfy the DockStream component, i.e, achieve favourable docking scores. 
+A [tutorial notebook](https://github.com/MolecularAI/ReinventCommunity) is provided.
+
 ## Requirements
 A Conda environment is provided: `DockStreamCommunity` via `environment.yml` to execute the `Jupyter Notebook` tutorials. 
 Some notebooks also require the `DockStream` and `DockStreamFull` environments to be installed