Merge branch 'master' of https://github.com/Jonas-Verhellen/argenomic

README.md

@@ -1,2 +1,33 @@
-# argenomic
+# Argenomic
 Argenomic is  an open-source implementation of an illumination algorithm for optimization of small organic molecules.
+
+### Installing
+
+Download the source code from Github to your local machine and create the environment from the environment.yml file:
+```
+conda env create -f environment.yml
+```
+Activate the new environment:
+```
+conda activate argenomic-stable
+```
+Verify that the new environment was installed correctly:
+```
+conda env list
+```
+## Authors
+
+* **Jonas Verhellen** - *Concept, implementation, and development*
+* **Jeriek Van den Abeele** - *implementation, and development*
+
+## Copyright License
+
+This project is licensed under the GNU General Public License v3 (GPLv3)".
+
+## Acknowledgments
+
+* Jan Jensen for his work in developing and open-sourcing a graph-based genetic algorithm for molecular optimisation, which served as impetus for this project.
+
+* Jean-Baptiste Mouret and Jeff Clune for their breakthrough invention of illumination algorithms, providing a holistic view of high-performing solutions throughout a search space.  
+
+* Pat Walters for his scripts indicating how to run structural alerts using the RDKit and ChEMBL, and for his many enlightening medicinal chemistry blog posts.