[dekhn]

No, I mean the older paper with the VAE for SMILES https://arxiv.org/abs/1610.02415 which we ended up implementing here: https://github.com/maxhodak/keras-molecules

SELFIES is just a pip install away; I think the team learned from their previous papers to be more open about the limits, as well as releasing code and weights for reproducibility.

I don't follow this area closely enough to really have any comments about SELFIES other than "well, at least the problems we identified were addressed in later work". Specifically, my goal was to start with two SMILES strings, encode them to vectors, then sample points along the path between the two vectors, and decode them back to valid molecules. Presumably, SELFIES does this far better (see the examples in the repo).