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seyonechithrananda / bert-loves-chemistry

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
MIT License
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hp search #29

Closed walid0925 closed 3 years ago

walid0925 commented 3 years ago

Uses optuna to do a quick hyperparameter search for finetuning. Runs training / eval multiple times with the best hyperparameters

gabegrand commented 3 years ago

(merged this PR so I can keep working this evening)

walid0925 commented 3 years ago

LGTM - very nice! Also, do you have pre-commit hooks installed for this repo? If so, would you mind pushing them up? I could use them as well.

I do not at the moment, have just been using black inside VSCode - but we should add them