fix bug in benchmark (7500bcd5) · Commits · 钟慕尧 / deepchem

deepchem/molnet/run_benchmark_models.py

+12 −4

Original line number	Diff line number	Diff line
		@@ -245,9 +245,13 @@ def benchmark_classification(train_dataset,

		tf.set_random_seed(seed)
		graph_model = deepchem.nn.SequentialDAGGraph(
		n_features, batch_size=batch_size, max_atoms=max_atoms)
		n_features, max_atoms=max_atoms)
		graph_model.add(
		deepchem.nn.DAGLayer(n_graph_feat, n_features, max_atoms=max_atoms))
		deepchem.nn.DAGLayer(
		n_graph_feat,
		n_features,
		max_atoms=max_atoms,
		batch_size=batch_size))
		graph_model.add(deepchem.nn.DAGGather(max_atoms=max_atoms))

		model = deepchem.models.MultitaskGraphClassifier(
		@@ -574,9 +578,13 @@ def benchmark_regression(train_dataset,

		tf.set_random_seed(seed)
		graph_model = deepchem.nn.SequentialDAGGraph(
		n_features, batch_size=batch_size, max_atoms=max_atoms)
		n_features, max_atoms=max_atoms)
		graph_model.add(
		deepchem.nn.DAGLayer(n_graph_feat, n_features, max_atoms=max_atoms))
		deepchem.nn.DAGLayer(
		n_graph_feat,
		n_features,
		max_atoms=max_atoms,
		batch_size=batch_size))
		graph_model.add(deepchem.nn.DAGGather(max_atoms=max_atoms))

		model = deepchem.models.MultitaskGraphRegressor(