Discover Pyrene-MOFs

Interactive resources associated with the review paper on MOFs with pyrene ligands.

Getting started

Prerequisites

• git
• python >= 2.7
• nodejs >= 6.10

Installation

git clone https://github.com/{thispackage}
cd {thispackage}
pip install -e .     # install python dependencies
./prepare.sh         # download test data (run only once)

Running the app

bokeh serve --show figure select_pyrenemofs

Docker deployment

• Adapt variables in docker-compose.yml to fit the connection details of your AiiDA database
• For MacOS, use AIIDADB_HOST: docker.host.internal and comment out network_mode
• For Linux, use AIIDADB_HOST: 127.0.0.1 and use network_mode: host

docker-compose build
docker-compose up
# open http://localhost:5006/pyrene-mofs/select_pyrenemofs