07b5932ad1f58c3818b5512ca68345988726f321,examples/low_data/tox_res_one_fold.py,,,#,15

Before Change

// output will be (n_atoms, 64)
support_model.add(dc.nn.GraphConv(64, activation="relu"))
support_model.add_test(dc.nn.BatchNormalization(epsilon=1e-5, mode=1))
support_model.add_support(dc.nn.BatchNormalization(epsilon=1e-5, mode=1))
// 2nd conv layer + batchnorm
// output will be (n_atoms, 64)
support_model.add(dc.nn.GraphConv(64, activation="relu"))
support_model.add_test(dc.nn.BatchNormalization(epsilon=1e-5, mode=1))
support_model.add_support(dc.nn.BatchNormalization(epsilon=1e-5, mode=1))
// 3nd conv layer + batchnorm
// output will be (n_atoms, 64)

After Change

// Add layers
support_model.add(dc.nn.GraphConv(64, activation="relu"))
support_model.add(dc.nn.GraphPool())
support_model.add(dc.nn.GraphConv(128, activation="relu"))
support_model.add(dc.nn.GraphPool())
support_model.add(dc.nn.GraphConv(64, activation="relu"))

Instances