Formatting (9fe0fa6d) · Commits · 钟慕尧 / deepchem

deepchem/models/normalizing_flows.py

+4 −6

Original line number	Diff line number	Diff line
		@@ -100,9 +100,7 @@ class NormalizingFlowModel(KerasModel):

		"""

		def __init__(self,
		model: NormalizingFlow,
		**kwargs):
		def __init__(self, model: NormalizingFlow, **kwargs):
		"""Creates a new NormalizingFlowModel.

		Parameters
		@@ -147,13 +145,11 @@ class NormalizingFlowModel(KerasModel):

		self.model = model
		self.flow = model.flow # normalizing flow

		"""Initialize tf network."""
		x = self.flow.distribution.sample(self.flow.distribution.batch_shape)
		for b in reversed(self.flow.bijector.bijectors):
		x = b.forward(x)


		self.nll_loss_fn = lambda output, labels, weights: self.create_nll(output)

		super(NormalizingFlowModel, self).__init__(
		@@ -178,7 +174,9 @@ class NormalizingFlowModel(KerasModel):

		"""

		return Lambda(lambda x: -tf.reduce_mean(self.flow.log_prob(x, training=True)))(output)
		return Lambda(
		lambda x: -tf.reduce_mean(tf.math.add(self.flow.log_prob(x), 1e-10)))(
		output)


		class NormalizingFlowLayer(object):

+2 −2

Original line number	Diff line number	Diff line
		@@ -19,11 +19,11 @@ then
		# This is because TensorFlow mainly supports CUDA 10.1.
		cuda=cu101
		dgl_pkg=dgl-cu101
		echo "Installing DeepChem in the GPU envirionment"
		echo "Installing DeepChem in the GPU environment"
		else
		cuda=cpu
		dgl_pkg=dgl
		echo "Installing DeepChem in the CPU envirionment"
		echo "Installing DeepChem in the CPU environment"
		fi

		# Install dependencies except PyTorch and TensorFlow