Convert DAGTensorGraph to DAGModel (f20016c8) · Commits · 钟慕尧 / deepchem

deepchem/models/init.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -17,7 +17,7 @@ from deepchem.models.tensorgraph.IRV import TensorflowMultiTaskIRVClassifier
		from deepchem.models.tensorgraph.robust_multitask import RobustMultitaskClassifier
		from deepchem.models.tensorgraph.robust_multitask import RobustMultitaskRegressor
		from deepchem.models.tensorgraph.progressive_multitask import ProgressiveMultitaskRegressor, ProgressiveMultitaskClassifier
		from deepchem.models.tensorgraph.models.graph_models import WeaveModel, DTNNModel, DAGTensorGraph, GraphConvModel, MPNNModel
		from deepchem.models.tensorgraph.models.graph_models import WeaveModel, DTNNModel, DAGModel, GraphConvModel, MPNNModel
		from deepchem.models.tensorgraph.models.symmetry_function_regression import BPSymmetryFunctionRegression, ANIRegression

		from deepchem.models.tensorgraph.models.seqtoseq import SeqToSeq

+3 −3

Original line number	Diff line number	Diff line
		@@ -358,7 +358,7 @@ class DTNNModel(TensorGraph):
		return undo_transforms(retval, transformers)


		class DAGTensorGraph(TensorGraph):
		class DAGModel(TensorGraph):

		def __init__(self,
		n_tasks,
		@@ -390,7 +390,7 @@ class DAGTensorGraph(TensorGraph):
		self.n_graph_feat = n_graph_feat
		self.n_outputs = n_outputs
		self.mode = mode
		super(DAGTensorGraph, self).__init__(**kwargs)
		super(DAGModel, self).__init__(**kwargs)
		self.build_graph()

		def build_graph(self):
		@@ -508,7 +508,7 @@ class DAGTensorGraph(TensorGraph):
		yield feed_dict

		def predict_on_generator(self, generator, transformers=[], outputs=None):
		out = super(DAGTensorGraph, self).predict_on_generator(
		out = super(DAGModel, self).predict_on_generator(
		generator, transformers=[], outputs=outputs)
		if outputs is None:
		outputs = self.outputs

+1 −1

Original line number	Diff line number	Diff line
		@@ -661,7 +661,7 @@ class TestOverfit(test_util.TensorFlowTestCase):
		transformer = dc.trans.DAGTransformer(max_atoms=50)
		dataset = transformer.transform(dataset)

		model = dc.models.DAGTensorGraph(
		model = dc.models.DAGModel(
		n_tasks,
		max_atoms=50,
		n_atom_feat=n_feat,

+2 −2

Original line number	Diff line number	Diff line
		@@ -223,7 +223,7 @@ def benchmark_classification(train_dataset,
		test_dataset.reshard(reshard_size)
		test_dataset = transformer.transform(test_dataset)

		model = deepchem.models.DAGTensorGraph(
		model = deepchem.models.DAGModel(
		len(tasks),
		max_atoms=max_atoms,
		n_atom_feat=n_features,
		@@ -558,7 +558,7 @@ def benchmark_regression(train_dataset,
		test_dataset.reshard(reshard_size)
		test_dataset = transformer.transform(test_dataset)

		model = deepchem.models.DAGTensorGraph(
		model = deepchem.models.DAGModel(
		len(tasks),
		max_atoms=max_atoms,
		n_atom_feat=n_features,

+1 −1

Original line number	Diff line number	Diff line
		@@ -34,7 +34,7 @@ train_dataset = transformer.transform(train_dataset)
		valid_dataset.reshard(reshard_size)
		valid_dataset = transformer.transform(valid_dataset)

		model = dc.models.DAGTensorGraph(
		model = dc.models.DAGModel(
		len(delaney_tasks),
		max_atoms=max_atoms,
		n_atom_feat=n_atom_feat,