This repo contains scripts demonstrating how to use datalab-api to add automated experimental data to our Datalab instance at http://aichemy-datalab.ch.ic.ac.uk/.
The experimental data is from the paper Streamlining the automated discovery of porous organic cages.
To run the scripts:
- Download the research data from 10.5281/zenodo.10138084
- Unzip it
- Set
DATA_DIR =to point to the unzipped directory in batch_addition_workflow/config.py.