Molecular data explorer

Try it here!

Python script to create a web app with Dash to visualize molecular data and molecular geometries from the paper:

https://chemrxiv.org/articles/preprint/Identifying_the_Trade-off_between_Intramolecular_Singlet_Fission_Requirements_in_Donor-Acceptor_Copolymers/13333475/1

Requirements

• Python 3.6 or newer

Use pip to install requirements:

pip install -r requirements.txt

Usage

The app is executed as:

python mol_view.py

Docker

docker build -t mol_dat_exp .
sudo docker run -p 80:80 mol_dat_exp
The app will be then deployed on: http://127.0.0.1:80/