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seyonechithrananda
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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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Customization and cleaning
#46
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ElanaPearl
closed
3 years ago
ElanaPearl
commented
3 years ago
can pass in explicit eval set
can customize more parameters (LR, dropout, hidden_size, intermediate size is set as 4*hidden_size as is recommended default)
removed the "lazy" dataset that computes rdkt properties on the fly as its never used and is slow
create_trainer works for pretrained models