NLP models for blood brain barrier permeability one bidirectional LSTM model, one bert and one roberta model for bbb prediction if you want to use the dataset please cite the group that made it. the lstm model is uploaded in it's folder(models) and for using the both bert and roberta models you can use huggingface website. roberta model for smiles prediction was fine-tuned on deepchem's 77mil model.
All the models include the BiLSTM models are available by running the main.py file or running the colab notebook down below.
