Update HyperparamOpt for fit_transformers (07072e46) · Commits · 钟慕尧 / deepchem

deepchem/datasets/init.py

+2 −1

Original line number	Diff line number	Diff line
		@@ -71,8 +71,9 @@ class Dataset(object):
		'y_sums', 'y_sum_squares', 'y_n'))
		self.save_to_disk()

		if samples is None and feature_types is not None: # Create an empty metadata dataframe to be filled at a later time
		if samples is None and feature_types is not None:

		# Create an empty metadata dataframe to be filled at a later time
		basename = "metadata"
		df_file = "metadata.joblib"
		out_X = os.path.join(data_dir, "%s-X.joblib" % basename)

+4 −1

Original line number	Diff line number	Diff line
		@@ -15,9 +15,10 @@ class HyperparamOpt(object):
		Provides simple hyperparameter search capabilities.
		"""

		def __init__(self, model_class, task_types, verbosity=None):
		def __init__(self, model_class, task_types, fit_transformers=None, verbosity=None):
		self.model_class = model_class
		self.task_types = task_types
		self.fit_transformers = fit_transformers
		assert verbosity in [None, "low", "high"]
		self.verbosity = verbosity

		@@ -55,10 +56,12 @@ class HyperparamOpt(object):
		else:
		model_dir = tempfile.mkdtemp()
		if logdir is not None:
		#TODO(JG) Fit transformers for TF models
		model = self.model_class(self.task_types, model_params, model_dir,
		verbosity=self.verbosity)
		else:
		model = self.model_class(self.task_types, model_params,
		fit_transformers=self.fit_transformers,
		verbosity=self.verbosity)
		model.fit(train_dataset)
		model.save(model_dir)