I love the idea: in particular, the arbitrary molecule generation. I've been thinking about is using the mechanical structures already provided by DNA to generate antibodies by reading the DNA tape in the same way that human cells assemble proteins. But it would be great to find a more general solution based on chemical computation that doesn't rely on and isn't limited by organic chemistry.
Yes, certainly an interesting idea. For now our models are trained on large corpora of organic chemistry reactions so our tech has some way to go before extrapolating outside this space.