CNN¶

class DeepPurpose.models.CNN(nn.Sequential)

CNN (Convolutional Neural Network) (Source) can be used to encode both drug and protein on SMILES.

constructor create an instance of CNN.

__init__(self, encoding, **config)

encoding (string, “drug” or “protein”) - specify input type of model, “drug” or “protein”.
config (kwargs, keyword arguments) - specify the parameter of CNN. The keys include
- cnn_drug_filters (list, each element is int) - specify the size of filter when encoding drug, e.g., cnn_drug_filters = [32,64,96].
- cnn_drug_kernels (list, each element is int) - specify the size of kernel when encoding drug, e.g., cnn_drug_kernels = [4,6,8].
- hidden_dim_drug (int) - specify the hidden dimension when encoding drug, e.g., hidden_dim_drug = 256.
- cnn_target_filters (list, each element is int) - specify the size of filter when encoding protein, e.g, cnn_target_filters = [32,64,96].
- cnn_target_kernels (list, each element is int) - specify the size of kernel when encoding protein, e.g, cnn_target_kernels = [4,8,12].
- hidden_dim_protein (int) - specify the hidden dimension when encoding protein, e.g., hidden_dim_protein = 256.

Calling functions implement the feedforward procedure of CNN.

forward(self, v)