Format files to comply code guidelines (a20bbe6b) · Commits · 钟慕尧 / deepchem

examples/low_data/sider_graph_conv_one_fold.py

+3 −6

Original line number	Diff line number	Diff line
		@@ -11,7 +11,6 @@ import tensorflow as tf
		import deepchem as dc
		from deepchem.models.tensorgraph.models.graph_models import GraphConvModel


		# 4-fold splits
		K = 4
		# num positive/negative ligands
		@@ -26,8 +25,6 @@ sider_tasks, fold_datasets, transformers = dc.molnet.load_sider(
		# Define metric
		metric = dc.metrics.Metric(dc.metrics.roc_auc_score, mode="classification")



		train_folds = fold_datasets[:-1]
		train_dataset = dc.splits.merge_fold_datasets(train_folds)
		test_dataset = fold_datasets[-1]
		@@ -47,8 +44,8 @@ for trial_num, (task, support) in enumerate(support_generator):
		# Batch size of models
		batch_size = 50
		#graph_model = dc.nn.SequentialGraph(n_feat)
		model = GraphConvModel(1, graph_conv_layers=[
		64, 128, 64], batch_size=batch_size)
		model = GraphConvModel(
		1, graph_conv_layers=[64, 128, 64], batch_size=batch_size)
		# Fit trained model
		model.fit(support, nb_epoch=10)