Web interface of the nmr_pred code. The current version only allow the user to visualize and analyze the chemical diversity of the datased used to train the model.
Get a local copy of the code
gh repo clone OsHCuellar/tools_nmr_pred
inside the main directory build the docker image
cd tools_nmr_pred
sudo docker-compose build
and run the container
sudo docker-compose up
You can acces to the web-tool by opening the direction that will be given in a browser.