Interactive resources associated with the review paper on MOFs with pyrene ligands.
git clone https://github.com/{thispackage}
cd {thispackage}
pip install -e . # install python dependencies
./prepare.sh # download test data (run only once)
bokeh serve --show figure select_pyrenemofs
This has been built as a docker image and is deployed on MaterialsCloud. This docker image is availible on the private MaterialsCloud harbor registry. If you would like to rebuild this container. You will need the pyrene_mofs.aiida aiida database file at the same level as the Dockerfile.
Rebuilding is then simple.
docker compose build
docker compose up
# open http://localhost:5006/select_pyrenemofs