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Manas02 / FragmentBERT

Masked Language Models are Fragment Based Drug Designers

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drug-discoverydrug-designcomputational-chemistrynlpbert

Masked Language Models are Fragment Based Drug Designers

Author : Manas Mahale manas.mahale@bcp.edu.in

Install Dependencies :

pip3 install transformers

python3 src/pretrain.py

python3 src/model.py

To visualize

tensorboard --logdir=./smiles-bert/runs

and then go to http://localhost:6006/

python3 predict.py

About

Masked Language Models are Fragment Based Drug Designers

drug-discoverydrug-designcomputational-chemistrynlpbert

License:MIT License

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Language:Jupyter Notebook 89.0%Language:Python 11.0%