Moved more models (3ddd1e64) · Commits · 钟慕尧 / deepchem

contrib/atomicconv/acnn/core/opt_random_tensorgraph.py

+1 −1

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		@@ -7,7 +7,7 @@ import sys
		import deepchem as dc
		import numpy as np
		import tensorflow as tf
		from deepchem.models.tensorgraph.models.atomic_conv import atomic_conv_model
		from deepchem.models.atomic_conv import atomic_conv_model

		sys.path.append("../../models")
		from deepchem.models.tensorgraph.layers import Layer, Feature, Label, L2Loss, AtomicConvolution, Transpose, Dense

+1 −1

Original line number	Diff line number	Diff line
		@@ -8,7 +8,7 @@ import deepchem as dc
		import json
		import numpy as np
		import tensorflow as tf
		from deepchem.models.tensorgraph.models.atomic_conv import atomic_conv_model
		from deepchem.models.atomic_conv import atomic_conv_model

		sys.path.append("../../models")
		from deepchem.models.tensorgraph.layers import Layer, Feature, Label, L2Loss, AtomicConvolution, Transpose, Dense

+1 −1

Original line number	Diff line number	Diff line
		@@ -8,7 +8,7 @@ import deepchem as dc
		import json
		import numpy as np
		import tensorflow as tf
		from deepchem.models.tensorgraph.models.atomic_conv import atomic_conv_model
		from deepchem.models.atomic_conv import atomic_conv_model

		sys.path.append("../../models")
		from deepchem.models.tensorgraph.layers import Layer, Feature, Label, L2Loss, AtomicConvolution, Transpose, Dense

+1 −1

Original line number	Diff line number	Diff line
		@@ -8,7 +8,7 @@ import deepchem as dc
		import json
		import numpy as np
		import tensorflow as tf
		from deepchem.models.tensorgraph.models.atomic_conv import atomic_conv_model
		from deepchem.models.atomic_conv import atomic_conv_model

		sys.path.append("../../models")
		from deepchem.models.tensorgraph.layers import Layer, Feature, Label, L2Loss, AtomicConvolution, Transpose, Dense

+2 −3

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		@@ -495,7 +495,7 @@ class AtomicConvFeaturizer(ComplexNeighborListFragmentAtomicCoordinates):
		Number of epochs to train the model for
		"""

		self.atomic_conv_model = dc.models.tensorgraph.models.atomic_conv.AtomicConvModel(
		self.atomic_conv_model = dc.models.atomic_conv.AtomicConvModel(
		frag1_num_atoms=frag1_num_atoms,
		frag2_num_atoms=frag2_num_atoms,
		complex_num_atoms=complex_num_atoms,
		@@ -546,8 +546,7 @@ class AtomicConvFeaturizer(ComplexNeighborListFragmentAtomicCoordinates):
		# Add the Atomic Convolution layers to fetches
		layers_to_fetch = list()
		for layer in self.atomic_conv_model.layers.values():
		if isinstance(layer,
		dc.models.tensorgraph.models.atomic_conv.AtomicConvolution):
		if isinstance(layer, dc.models.atomic_conv.AtomicConvolution):
		layers_to_fetch.append(layer)

		# Extract the atomic convolution features