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Is the Gaussian process for optimization of molecules included in the repository? #32

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hcji opened this issue Jul 23, 2020 · 1 comment
Open

Is the Gaussian process for optimization of molecules included in the repository? #32

hcji opened this issue Jul 23, 2020 · 1 comment

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@hcji
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hcji commented Jul 23, 2020

Hi,

I have read your paper and think it is a wonderful work. In your paper, it referred a Gaussian process can be used in the latent space for optimizing the molecule for a specific property? Is there an example for this? Thank you

Ji
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@hcji @sgbaird