/FragmentBERT

Masked Language Models are Fragment Based Drug Designers

Primary LanguageJupyter NotebookMIT LicenseMIT

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