The code I wrote when doing the summer intern project Include:
- Pytorch_implementation.ipynb: This is the first code I wrote and the dataloader was built from scratch.
- Pytorch_dc.ipynb: Intergrate Deepchem with Pytorch_implementation.ipynb, so I can utilize the dataloader and featurizer implemented in Deepchem, which is very useful in drug discovery. Also I redefine the NN to make it feasible to try different hyperparameters. And the Grid search to find the optimal hyperparameter in a naive way