Some bugfixes (57db5d78) · Commits · 钟慕尧 / deepchem

deepchem/models/keras_models/init.py

+3 −3

Original line number	Diff line number	Diff line
		@@ -19,13 +19,13 @@ class KerasModel(Model):
		Abstract base class shared across all Keras models.
		"""

		def save(self, out_dir):
		def save(self):
		"""
		Saves underlying keras model to disk.
		"""
		super(KerasModel, self).save(out_dir)
		super(KerasModel, self).save()
		model = self.get_raw_model()
		filename, _ = os.path.splitext(Model.get_model_filename(out_dir))
		filename, _ = os.path.splitext(Model.get_model_filename(self.model_dir))

		# Note that keras requires the model architecture and weights to be stored
		# separately. A json file is generated that specifies the model architecture.

deepchem/models/keras_models/fcnet.py

+3 −2

Original line number	Diff line number	Diff line
		@@ -140,8 +140,9 @@ class SingleTaskDNN(MultiTaskDNN):
		"""
		Abstract base class for different ML models.
		"""
		def __init__(self, task_types, model_params, fit_transformers=None, initialize_raw_model=True, verbosity="low"):
		super(SingleTaskDNN, self).__init__(task_types, model_params,
		def __init__(self, task_types, model_params, model_dir, fit_transformers=None,
		initialize_raw_model=True, verbosity="low"):
		super(SingleTaskDNN, self).__init__(task_types, model_params, model_dir,
		fit_transformers=fit_transformers,
		initialize_raw_model=initialize_raw_model,
		verbosity=verbosity)

deepchem/models/tensorflow_models/init.py

+2 −4

Original line number	Diff line number	Diff line
		@@ -729,13 +729,11 @@ class TensorflowModel(Model):
		"""
		return self.eval_model.predict_on_batch(X)

		def save(self, logdir):
		def save(self):
		"""
		No-op since tf models save themselves during fit()
		"""
		if logdir != self.train_model.logdir:
		raise ValueError("Cannot save to directory "
		"that was not specified during initialization")
		pass

		def load(self, model_dir):
		"""

deepchem/models/test/init.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -73,7 +73,7 @@ class TestAPI(unittest.TestCase):

		# Fit trained model
		model.fit(train_dataset)
		model.save(self.model_dir)
		model.save()

		# Eval model on train
		evaluator = Evaluator(model, train_dataset, transformers, verbose=True)

deepchem/models/test/test_api.py

+6 −6

Original line number	Diff line number	Diff line
		@@ -54,7 +54,7 @@ class TestKerasSklearnAPI(TestAPI):
		Metric(metrics.mean_squared_error),
		Metric(metrics.mean_absolute_error)]

		model = SklearnModel(task_types, model_params,
		model = SklearnModel(task_types, model_params, self.model_dir,
		model_instance=RandomForestRegressor())
		self._create_model(train_dataset, test_dataset, model, transformers,
		regression_metrics)
		@@ -82,7 +82,7 @@ class TestKerasSklearnAPI(TestAPI):
		Metric(metrics.mean_squared_error),
		Metric(metrics.mean_absolute_error)]

		model = SklearnModel(task_types, model_params,
		model = SklearnModel(task_types, model_params, self.model_dir,
		model_instance=RandomForestRegressor())
		self._create_model(train_dataset, test_dataset, model, transformers,
		regression_metrics)
		@@ -109,7 +109,7 @@ class TestKerasSklearnAPI(TestAPI):
		Metric(metrics.mean_squared_error),
		Metric(metrics.mean_absolute_error)]

		model = SklearnModel(task_types, model_params,
		model = SklearnModel(task_types, model_params, self.model_dir,
		model_instance=RandomForestRegressor())
		self._create_model(train_dataset, test_dataset, model, transformers,
		regression_metrics)
		@@ -133,7 +133,7 @@ class TestKerasSklearnAPI(TestAPI):
		Metric(metrics.mean_squared_error),
		Metric(metrics.mean_absolute_error)]

		model = SklearnModel(task_types, model_params,
		model = SklearnModel(task_types, model_params, self.model_dir,
		model_instance=RandomForestRegressor())
		self._create_model(train_dataset, test_dataset, model, transformers,
		regression_metrics)
		@@ -206,7 +206,7 @@ class TestKerasSklearnAPI(TestAPI):
		Metric(metrics.mean_squared_error),
		Metric(metrics.mean_absolute_error)]

		model = SingleTaskDNN(task_types, model_params)
		model = SingleTaskDNN(task_types, model_params, self.model_dir)
		self._create_model(train_dataset, test_dataset, model, transformers,
		regression_metrics)

		@@ -281,6 +281,6 @@ class TestKerasSklearnAPI(TestAPI):
		Metric(metrics.recall_score),
		Metric(metrics.accuracy_score)]

		model = MultiTaskDNN(task_types, model_params)
		model = MultiTaskDNN(task_types, model_params, self.model_dir)
		self._create_model(train_dataset, test_dataset, model, transformers,
		classification_metrics)

Admin message