Merge pull request #1958 from deepchem/irv (3ce5d7cf) · Commits · 钟慕尧 / deepchem

deepchem/models/IRV.py

+14 −3

Original line number	Diff line number	Diff line
		@@ -79,7 +79,7 @@ class Slice(Layer):
		return tf.slice(inputs, [0] * axis + [slice_num], [-1] * axis + [1])


		class TensorflowMultitaskIRVClassifier(KerasModel):
		class MultitaskIRVClassifier(KerasModel):

		def __init__(self,
		n_tasks,
		@@ -87,7 +87,7 @@ class TensorflowMultitaskIRVClassifier(KerasModel):
		penalty=0.0,
		mode="classification",
		**kwargs):
		"""Initialize TensorflowMultitaskIRVClassifier
		"""Initialize MultitaskIRVClassifier

		Parameters
		----------
		@@ -119,8 +119,19 @@ class TensorflowMultitaskIRVClassifier(KerasModel):
		if len(logits) == 1 else Concatenate(axis=1)(logits)
		]
		model = tf.keras.Model(inputs=[mol_features], outputs=outputs)
		super(TensorflowMultitaskIRVClassifier, self).__init__(
		super(MultitaskIRVClassifier, self).__init__(
		model,
		SigmoidCrossEntropy(),
		output_types=['prediction', 'loss'],
		**kwargs)


		class TensorflowMultitaskIRVClassifier(MultitaskIRVClassifier):

		def __init__(self, args, *kwargs):

		warnings.warn(
		"TensorflowMultitaskIRVClassifier is deprecated and has been renamed to MultitaskIRVClassifier",
		FutureWarning)

		super(TensorflowMultitaskIRVClassifier, self).__init__(args, *kwargs)

+2 −1

Original line number	Diff line number	Diff line
		@@ -11,7 +11,7 @@ from deepchem.models.callbacks import ValidationCallback
		from deepchem.models.fcnet import MultitaskRegressor
		from deepchem.models.fcnet import MultitaskClassifier
		from deepchem.models.fcnet import MultitaskFitTransformRegressor
		from deepchem.models.IRV import TensorflowMultitaskIRVClassifier
		from deepchem.models.IRV import MultitaskIRVClassifier
		from deepchem.models.robust_multitask import RobustMultitaskClassifier
		from deepchem.models.robust_multitask import RobustMultitaskRegressor
		from deepchem.models.progressive_multitask import ProgressiveMultitaskRegressor, ProgressiveMultitaskClassifier
		@@ -29,3 +29,4 @@ from deepchem.models.chemnet_models import Smiles2Vec, ChemCeption

		from deepchem.models.text_cnn import TextCNNTensorGraph
		from deepchem.models.graph_models import WeaveTensorGraph, DTNNTensorGraph, DAGTensorGraph, GraphConvTensorGraph, MPNNTensorGraph
		from deepchem.models.IRV import TensorflowMultitaskIRVClassifier

+1 −1

Original line number	Diff line number	Diff line
		@@ -429,7 +429,7 @@ class TestOverfit(test_util.TensorFlowTestCase):
		dataset_trans = IRV_transformer.transform(dataset)
		classification_metric = dc.metrics.Metric(
		dc.metrics.accuracy_score, task_averager=np.mean)
		model = dc.models.TensorflowMultitaskIRVClassifier(
		model = dc.models.MultitaskIRVClassifier(
		n_tasks, K=5, learning_rate=0.01, batch_size=n_samples)

		# Fit trained model