Message Passing Neural Network (MPNN)ΒΆ

class DeepPurpose.models.MPNN(nn.Sequential)

Message Passing Neural Network (MPNN) encode drug in its graph representation.

constructor create MPNN class.

__init__(self, mpnn_hidden_size, mpnn_depth)

  • mpnn_hidden_size (int) - specify dimension of hidden layer in MPNN, e.g, mpnn_hidden_size = 256.

  • mpnn_depth (int) - specify depth of MPNN, e.g., mpnn_depth = 3.

Calling functions implement the feedforward procedure of MPNN.

forward(self, feature)
  • feature (tuple of length 5)

    • todo