daenuprobst / molzip

The gzip classification method implemented for molecule classification.
MIT License
52 stars 10 forks source link

Models #13

Open EricBoittier opened 11 months ago

EricBoittier commented 11 months 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 11 months 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 10 months 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?