I am wondering if anyone has experience with generating molecules using machine learning in Mathematica. There are a bunch of papers these days with such applications/developments. For example, https://pubs.acs.org/doi/10.1021/acs.jcim.0c01496. Another example on Medium is https://medium.com/@sunitachoudhary103/generating-molecules-using-a-char-rnn-in-pytorch-16885fd9394b
I know about Molecule and associated chemistry functions. I am interested in how SMILES strings could be generated, perhaps, by adapting some neural networks that work for such kinds of applications.
If someone's aware of examples/tutorials that cover this, it would be great, if you could share.