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(the-matter-lab/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.
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(the-matter-lab/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.