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Commit 318a3b0e authored Jan 25, 2018 by Bharath Ramsundar

Commenting out IRV

parent 8ce5f0c7

deepchem/models/init.py

+0 −1

Original line number	Diff line number	Diff line
		@@ -13,7 +13,6 @@ from deepchem.models.multitask import SingletaskToMultitask
		from deepchem.models.tensorflow_models.fcnet import MultiTaskRegressor
		from deepchem.models.tensorflow_models.fcnet import MultiTaskClassifier
		from deepchem.models.tensorflow_models.fcnet import MultiTaskFitTransformRegressor
		from deepchem.models.tensorflow_models.IRV import TensorflowMultiTaskIRVClassifier
		from deepchem.models.tensorgraph.tensor_graph import TensorGraph
		from deepchem.models.tensorgraph.models.graph_models import WeaveTensorGraph, DTNNTensorGraph, DAGTensorGraph, GraphConvTensorGraph, MPNNTensorGraph
		from deepchem.models.tensorgraph.models.symmetry_function_regression import BPSymmetryFunctionRegression, ANIRegression

deepchem/models/tensorflow_models/IRV.py

+2 −4

Original line number	Diff line number	Diff line
		@@ -8,11 +8,8 @@ import numpy as np
		import tensorflow as tf

		from deepchem.utils.save import log
		from deepchem.models.tensorflow_models import TensorflowGraph
		from deepchem.models.tensorflow_models import TensorflowGraphModel
		from deepchem.models.tensorflow_models.lr import TensorflowLogisticRegression


		'''
		class TensorflowMultiTaskIRVClassifier(TensorflowLogisticRegression):

		def __init__(self,
		@@ -134,3 +131,4 @@ class TensorflowMultiTaskIRVClassifier(TensorflowLogisticRegression):
		z = tf.reduce_sum(R * tf.gather(V, ys), axis=1) + b2
		output.append(tf.reshape(z, shape=[-1, 1]))
		return (output, labels, weights)
		'''

deepchem/models/tests/test_overfit.py

+2 −0

Original line number	Diff line number	Diff line
		@@ -429,6 +429,7 @@ class TestOverfit(test_util.TensorFlowTestCase):
		assert scores[classification_metric.name] > .9
		'''

		'''
		def test_IRV_multitask_classification_overfit(self):
		"""Test IRV classifier overfits tiny data."""
		n_tasks = 5
		@@ -457,6 +458,7 @@ class TestOverfit(test_util.TensorFlowTestCase):
		# Eval model on train
		scores = model.evaluate(dataset_trans, [classification_metric])
		assert scores[classification_metric.name] > .9
		'''

		def test_sklearn_multitask_regression_overfit(self):
		"""Test SKLearn singletask-to-multitask overfits tiny regression data."""

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