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Could you provide the GPmol.py ? #11

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AustinApple opened this issue Mar 1, 2019 · 0 comments
Open

Could you provide the GPmol.py ? #11

AustinApple opened this issue Mar 1, 2019 · 0 comments

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@AustinApple
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Dear,
I am using chemvae to do the molecule inverse design and attempt to use any algorithms to optimize my surrogate property predictor(two layers of the neural network) in the latent space. But I face a lot of troubles to do optimization. I see that you will release the GPmol(aspuru-guzik-group/chemical_vae#11) in this issue. But, I can not find any GPmol on the github. Recently, I found that in ORGANIC/model/gp_metrics.py you certainly import GPmol in the beginning. I wonder to know where I can access the GPmol code or could you please give me some advice on optimization. I am really grateful that you selflessly provide the code.

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