Paper writing collaboration

Open DavidLandup0 opened this issue 2 years ago • 2 comments

Hey! Could we perhaps collaborate on turning this into a small paper? :)

Jul 15 '23 21:07 DavidLandup0

Sure, let me know what you want to do... I'm currently preparing a draft for a working paper.

Jul 16 '23 20:07 daenuprobst

Awesome, thanks! What do you think would be the areas that currently need to be fleshed out more?

I figure that one of the most important things to tweak/tune here is the representation produced by SMILES+gzip. Testing out augmentations, canonicalization schemes, etc. or simply doing analysis on the produced representations may lead to improving metrics.

Besides that, a decent analysis section of the representations would be a nice addition, IMO.

Jul 17 '23 12:07 DavidLandup0