molzip icon indicating copy to clipboard operation
molzip copied to clipboard

Models

Open EricBoittier opened this issue 2 years ago • 2 comments

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

  • moved classifiers and regressors into separate files (TODO: add some standard models to benchmark against).
  • created a model class that can help select models for benchmarks
  • added a simple argsparse to main.py
  • started configs.py to store the settings

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.

EricBoittier avatar Jul 19 '23 21:07 EricBoittier

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 :)

janweinreich avatar Aug 07 '23 15:08 janweinreich

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?

daenuprobst avatar Aug 09 '23 08:08 daenuprobst