readability (604e7830) · Commits · 钟慕尧 / deepchem

deepchem/models/tensorgraph/models/graph_models.py

+4 −5

Original line number	Diff line number	Diff line
		@@ -63,7 +63,7 @@ class WeaveTensorGraph(TensorGraph):
		self.pair_split = Feature(shape=(None,), dtype=tf.int32)
		self.atom_split = Feature(shape=(None,), dtype=tf.int32)
		self.atom_to_pair = Feature(shape=(None, 2), dtype=tf.int32)
		weave_layer1 = WeaveLayerFactory(
		weave_layer1A, weave_layer1P = WeaveLayerFactory(
		n_atom_input_feat=self.n_atom_feat,
		n_pair_input_feat=self.n_pair_feat,
		n_atom_output_feat=self.n_hidden,
		@@ -72,20 +72,19 @@ class WeaveTensorGraph(TensorGraph):
		self.atom_features, self.pair_features, self.pair_split,
		self.atom_to_pair
		])
		weave_layer2 = WeaveLayerFactory(
		weave_layer2A, weave_layer2P = WeaveLayerFactory(
		n_atom_input_feat=self.n_hidden,
		n_pair_input_feat=self.n_hidden,
		n_atom_output_feat=self.n_hidden,
		n_pair_output_feat=self.n_hidden,
		update_pair=False,
		in_layers=[
		weave_layer1[0], weave_layer1[1], self.pair_split, self.atom_to_pair
		weave_layer1A, weave_layer1P, self.pair_split, self.atom_to_pair
		])
		separated = weave_layer2[0]
		dense1 = Dense(
		out_channels=self.n_graph_feat,
		activation_fn=tf.nn.tanh,
		in_layers=separated)
		in_layers=weave_layer2A)
		batch_norm1 = BatchNormalization(epsilon=1e-5, mode=1, in_layers=[dense1])
		weave_gather = WeaveGather(
		self.batch_size,