fix test failure (dad2e84c) · Commits · 钟慕尧 / deepchem

deepchem/models/tensorgraph/models/symmetry_function_regression.py

+3 −1

Original line number	Diff line number	Diff line
		@@ -116,6 +116,7 @@ class ANIRegression(TensorGraph):
		n_tasks,
		max_atoms,
		exp_loss=False,
		activation_fn='ani',
		layer_structures=[128, 64],
		atom_number_cases=[1, 6, 7, 8, 16],
		dropout_prob=0.,
		@@ -134,6 +135,7 @@ class ANIRegression(TensorGraph):
		self.n_tasks = n_tasks
		self.max_atoms = max_atoms
		self.exp_loss = exp_loss
		self.activation_fn = activation_fn
		self.layer_structures = layer_structures
		self.atom_number_cases = atom_number_cases
		self.dropout_prob = dropout_prob
		@@ -320,7 +322,7 @@ class ANIRegression(TensorGraph):
		self.max_atoms,
		n_hidden,
		self.atom_number_cases,
		activation='ani',
		activation=self.activation_fn,
		in_layers=[previous_layer, self.atom_numbers])
		dropout = Dropout(self.dropout_prob, in_layers=[Hidden])
		Hiddens.append(dropout)

+2 −1

Original line number	Diff line number	Diff line
		@@ -43,7 +43,8 @@ class TestANIRegression(unittest.TestCase):
		"learning_rate": 0.001,
		"use_queue": False,
		"mode": "regression",
		"model_dir": self.model_dir
		"model_dir": self.model_dir,
		"activation_fn": "relu"
		}

		model = ANIRegression(**self.kwargs)