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Machine learning predictions of bond dissociation energy

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The installation info could be better. I didn't get it to run at all as described using pip install, because then upon import it complains that tensorflow is missing. If...

Bumps [scikit-learn](https://github.com/scikit-learn/scikit-learn) from 0.24.2 to 1.0.1. Release notes Sourced from scikit-learn's releases. scikit-learn 1.0.1 We're happy to announce the 1.0.1 release with several bugfixes: You can see the changelog here:...

dependencies

Hi @pstjohn I could not install it I tried the following code and many other code, but it does not function ``` !conda create -n alfabet -c conda-forge python=3.7 rdkit...

I need to invoke `model.predict()` a lot of times. But it seems that there is a memory leak in predict(). This code gives increasing memory usage. ``` from alfabet import...