The dataset that the database dump was created from is described here: 10.33774/chemrxiv-2021-1rxhk A dump of the postgres database created from the code in the 'postgres' directory (Papyrus-scripts/src/papyrus_scripts/postgres/) of Rachael Skyner's fork (https://github.com/reskyner/Papyrus-scripts) of Oliver Bequignon's Papyrus-scripts github (https://github.com/OlivierBeq/Papyrus-scripts). The database was created by: 1. Download the papyrus csv files from Oliver's code using the download functionality 2. Spin up a 'papyrus' container using the docker-compose.yml file in Rachael's fork (running on a machine with access to the postgres instance you want to add the database to) 3. Start a shell in the papyrus container with docker exec -it papyrus /bin/bash 4. Start a jupyter notebook server with jupyter notebook --ip 0.0.0.0 --allow-root --no-browser 5. Run the two notebooks (1-insert_molecule_data.ipynb and 2-insert_activities.ipynb) in order 6. Create a dump of the database