Papyrus dataset postgres dump

<p>The dataset that the database dump was created from is described here:&nbsp;<a href="https://doi.org/10.33774/chemrxiv-2021-1rxhk">10.33774/chemrxiv-2021-1rxhk</a><br> <br> A dump of the postgres database created from the code in the &#39;postgres&#39; directory (<a href="https://github.com/reskyner/Papyrus-scripts">Papyrus-scripts</a>/<a href="https://github.com/reskyner/Papyrus-scripts/tree/master/src">src</a>/<a href="https://github.com/reskyner/Papyrus-scripts/tree/master/src/papyrus_scripts">papyrus_scripts</a>/<strong>postgres</strong>/) of Rachael Skyner&#39;s fork (https://github.com/reskyner/Papyrus-scripts) of Oliver Bequignon&#39;s&nbsp;Papyrus-scripts github (https://github.com/OlivierBeq/Papyrus-scripts).&nbsp; The database was created by:</p> <p>1. Download the papyrus csv files from Oliver&#39;s code using the download functionality</p> <p>2. Spin up a &#39;papyrus&#39; container using the docker-compose.yml file in Rachael&#39;s fork (running on a machine with access to the postgres instance you want to add the database to)</p> <p>3. Start a shell in the papyrus container with docker exec -it papyrus /bin/bash</p> <p>4. Start a jupyter notebook server with jupyter notebook --ip 0.0.0.0 --allow-root --no-browser</p> <p>5. Run the two notebooks&nbsp;&nbsp;(<a href="https://github.com/reskyner/Papyrus-scripts/blob/master/src/papyrus_scripts/postgres/notebooks/1-insert_molecule_data.ipynb">1-insert_molecule_data.ipynb</a>&nbsp;and&nbsp;<a href="https://github.com/reskyner/Papyrus-scripts/blob/master/src/papyrus_scripts/postgres/notebooks/2-insert_activities.ipynb">2-insert_activities.ipynb</a>) in order</p> <p>6. Create a dump of the database</p>