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HIPS / molecule-autoencoder

A project to enable optimization of molecules by transforming them to and from a continuous representation.
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Bayesian optimization #5

Closed yangxiufengsia closed 7 years ago

yangxiufengsia commented 7 years ago

Can you share the code of bayesian optimization used in this paper?

duvenaud commented 7 years ago

@jmhernandezlobato wrote and ran that code. Miguel, do you feel like sharing it?

jmhernandezlobato commented 7 years ago

I am planing to make the code public. I will try to upload it by next week, if possible.

spadavec commented 6 years ago

@jmhernandezlobato was your BO code ever released where I can look at it? Much appreciated!