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RXN Explorer Open in Streamlit

This is a simple tool to show how we can share our ML models using streamlit. Find the corresponding notebook here.

With this app you can draw a molecule and predict its reaction products with random molecules from the Mcule database. We use the Molecular Transformer model to do the reaction prediction. You can then score the predicted products and visualize the corresponding reactions!

Usage

Click on the streamlit button and enjoy the app!

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