Shuffle the dataset while fitting by default (891af638) · Commits · 钟慕尧 / deepchem

deepchem/models/tensorgraph/tensor_graph.py

+3 −3

Original line number	Diff line number	Diff line
		@@ -21,7 +21,6 @@ from deepchem.data.data_loader import featurize_smiles_np


		class TensorGraph(Model):

		def __init__(self,
		tensorboard=False,
		tensorboard_log_frequency=100,
		@@ -123,7 +122,7 @@ class TensorGraph(Model):
		max_checkpoints_to_keep=5,
		checkpoint_interval=1000):
		return self.fit_generator(
		self.default_generator(dataset, epochs=nb_epoch),
		self.default_generator(dataset, epochs=nb_epoch, deterministic=False),
		max_checkpoints_to_keep, checkpoint_interval)

		def fit_generator(self,
		@@ -214,6 +213,7 @@ class TensorGraph(Model):
		dataset,
		epochs=1,
		predict=False,
		deterministic=True,
		pad_batches=True):
		if len(self.features) > 1:
		raise ValueError("More than one Feature, must use generator")
		@@ -224,7 +224,7 @@ class TensorGraph(Model):
		for epoch in range(epochs):
		for (X_b, y_b, w_b, ids_b) in dataset.iterbatches(
		batch_size=self.batch_size,
		deterministic=True,
		deterministic=deterministic,
		pad_batches=pad_batches):
		feed_dict = dict()
		if len(self.labels) == 1 and y_b is not None and not predict: