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New jnb for combinatorial pipeline obj usage. Generated on rdkit UGM … #37

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merged 3 commits into from
Sep 22, 2023

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RiesBen
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@RiesBen RiesBen commented Sep 22, 2023

…hackathon 2023

Hi, here we want to merge the Jupyter notebook, that we wrote together.
With this you can build pipelines, that for example use combinatorially different feautrization tools and hyperparams, and give you insight about the individual performance.

Cheers
@VincentAlexanderScholz

@EBjerrum EBjerrum merged commit 6b77559 into EBjerrum:main Sep 22, 2023
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