This repository provides a PyTorch implementation of PharmaNet, presented in the paper PharmaNet: Pharmaceutical discovery with deep recurrent neural networks. PharmaNet is a novel approach for the task of Drug-Protein interaction based on Recurrent Neural Networks to analyze SMILES representations drugs.
Pretrained models for each fold of our 4 fold cross-validation are available in this link.
- Pytorch >= 1.4
- Pandas
- Tqdm