Hi everyone,
I have working with generative modelling for Molecules (SMILES) and I was exploring the AspuruGuzikAutoEncoder
given on seqtoseq.py
. The original paper has a step for Gaussian Process step for exploring the latent space and I couldn't find its implementation in deepchem. It would be really helpful if someone could suggest me generative models research or frameworks which can provide us with the option of exploring the latent space for finding more optimized molecules.
reference -
Thanks in advance :)
I found this repo for the paper you linked above: https://github.com/HIPS/molecule-autoencoder
It's outside of deepchem, but hope this helps!
@VIGNESHinZONE
BindingPocketFeaturizer
.