Keras example for chemical structures

Does anybody have a example workflow built with Keras which tries to classify chemical molecules parameters? Activity for example. Even just a Keras workflow handling moelcules in any way would be useful. I just want to understand the general architecture.

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Hi @mining12 ,

Have you looked at the hub.knime.com? There you can search for example workflows.
Here is a search result for Bioactivity Prediction Keras – KNIME Hub

You might not find exactly what you are looking for, but I am certain you will be able to combine concepts from two or more workflows to build your desired workflow.

Hope this helps you find what you are looking for,
Temesgen

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