deepGraphh

Input Data

Sample File

Query Data

Sample File

Parameters

Mode:

Classification

Regression

This field marks the number of tasks for model

n_Tasks

Value:

n_classes

Value:

The number of classes to predict per task (only used when mode is ‘classification’)

number_atom_features

Value:

The length of the initial atom feature vectors.

dropout

Value:

The dropout probability for the output of each GCN layer

predictor_hidden_feats

Value:

The size for hidden representations in the output MLP predictor.

predictor_dropout

Value:

The dropout probability for the output MLP predictor.

Self loop

Batch Normalization

Residual

Layers in Graph Convolution Network:

Activation:

tanh

Sigmoid

Relu

Softmax

None

Cross-validation:

5-fold Cross-validation

10-fold Cross-validation

None