daenuprobst / molzip

The gzip classification method implemented for molecule classification.
MIT License
54 stars 9 forks source link

Models #13

Open EricBoittier opened 1 year ago

EricBoittier commented 1 year ago

A little bit of an ambitious pull request... It would be nice to have more structure and a more compact main.py.

Sorry if I missed any recent changes; I ran the benchmark and can reproduce the results (I made gzip and smiles the defaults).

I can break it up into smaller pull requests. Feel free to let me know if you would rather try something else.

janweinreich commented 1 year ago

Hey could you test if you still get the same numbers with all the new changes that happened in the meantime?

I agree it might make sense to break down the script into smaller parts. @daenuprobst what do you think? tagging you because modifying the bench marking script is obviously important :)

daenuprobst commented 1 year ago

Hey... definitely makes sense to breaking up the script (or maybe even a separate branch for now?). @EricBoittier, could you confirm whether the results are still the same?