Predict Environmental Pollutant PERsistence (PEPPER) application

This application leverages a streamlit-based UI where users can input a .csv file containing the on a single column (names SMILES) a series of SMILES and receive an image representation of each compound together with the predicted breakthrough of this compound on a waster water treatment plant.

How to run it locally

1. First install Docker Desktop
2. Open Docker Desktop and open its terminal.
3. On the terminal:

• Git clone this repository:

git clone git@github.com:FennerLabs/pepper_app.git

• Travel to the folder that you just cloned:

cd pepper_app

• Run the docker compose command:

docker compose up --build

4. On the Container tab you should now find the pepper_app running, it should show as follows:
5. Click on the link 8501:8501 to access your own version of pepper_app