Macs in Chemistry

Insanely Great Science

Jupyter notebook to access IBM RXN AI-assisted retrosynthesis

 

A python wrapper for the IBM RXN api has been released, available on GitHub https://github.com/rxn4chemistry/rxn4chemistry

To install

pip install rxn4chemistry

You will need to register and get an api key from here https://rxn.res.ibm.com/rxn/user/profile.

This demo shows how to use for retrosynthesis ideas.

ibmrxn_notebook

The page also includes links to download the notebook.

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