Resolve image whereby pcba_sklearn example fails to train due to outdated... (4b7af10b) · Commits · 钟慕尧 / deepchem

examples/pcba/pcba_sklearn.py

+5 −6

Original line number	Diff line number	Diff line
		@@ -21,7 +21,7 @@ np.random.seed(123)

		# Set some global variables up top
		reload = True
		verbosity = "high"
		is_verbose = False

		base_dir = "/tmp/pcba_sklearn"
		model_dir = os.path.join(base_dir, "model")
		@@ -29,19 +29,18 @@ if os.path.exists(base_dir):
		shutil.rmtree(base_dir)
		os.makedirs(base_dir)

		pcba_tasks, pcba_datasets, transformers = load_pcba(
		base_dir, reload=reload)
		(train_dataset, valid_dataset) = pcba_datasets
		pcba_tasks, pcba_datasets, transformers = load_pcba()
		(train_dataset, valid_dataset, test_dataset) = pcba_datasets

		classification_metric = Metric(metrics.roc_auc_score, np.mean,
		verbosity=verbosity,
		verbose=is_verbose,
		mode="classification")

		def model_builder(model_dir):
		sklearn_model = RandomForestClassifier(
		class_weight="balanced", n_estimators=500)
		return SklearnModel(sklearn_model, model_dir)
		model = SingletaskToMultitask(muv_tasks, model_builder, model_dir)
		model = SingletaskToMultitask(pcba_tasks, model_builder, model_dir)


		# Fit trained model