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
389 stars 60 forks source link

finetune with freezing #45

Closed walid0925 closed 3 years ago

walid0925 commented 3 years ago

"warms up" the final layer for two epochs before doing the hyperparameter search. this should keep the pre-trained weights from over-adjusting based because of the randomly initialized final layer. this seems to help finetuning performance on several molnet tasks when pretraining using MTR especially