Loading deepchem/models/tensorgraph/models/graph_models.py +14 −12 Original line number Diff line number Diff line Loading @@ -185,14 +185,17 @@ class WeaveTensorGraph(TensorGraph): def predict_on_generator(self, generator, transformers=[], outputs=None): out = super(WeaveTensorGraph, self).predict_on_generator( generator, transformers=transformers, transformers=[], outputs=outputs) if outputs is None: outputs = self.outputs if len(outputs) == 1: if len(outputs) > 1: out = np.stack(out, axis=1) out = undo_transforms(out, transformers) return out else: return np.stack(out, axis=1) class DTNNTensorGraph(TensorGraph): Loading Loading @@ -345,7 +348,6 @@ class DTNNTensorGraph(TensorGraph): yield feed_dict ''' def predict(self, dataset, transformers=[], outputs=None): if outputs is None: outputs = self.outputs Loading @@ -357,7 +359,6 @@ class DTNNTensorGraph(TensorGraph): return retval retval = np.concatenate(retval, axis=-1) return undo_transforms(retval, transformers) ''' class DAGTensorGraph(TensorGraph): Loading Loading @@ -511,14 +512,15 @@ class DAGTensorGraph(TensorGraph): def predict_on_generator(self, generator, transformers=[], outputs=None): out = super(DAGTensorGraph, self).predict_on_generator( generator, transformers=transformers, transformers=[], outputs=outputs) if outputs is None: outputs = self.outputs if len(outputs) == 1: if len(outputs) > 1: out = np.stack(out, axis=1) out = undo_transforms(out, transformers) return out else: return np.stack(out, axis=1) class PetroskiSuchTensorGraph(TensorGraph): """ Loading deepchem/models/tensorgraph/models/text_cnn.py +6 −5 Original line number Diff line number Diff line Loading @@ -274,11 +274,12 @@ class TextCNNTensorGraph(TensorGraph): def predict_on_generator(self, generator, transformers=[], outputs=None): out = super(TextCNNTensorGraph, self).predict_on_generator( generator, transformers=transformers, transformers=[], outputs=outputs) if outputs is None: outputs = self.outputs if len(outputs) == 1: if len(outputs) > 1: out = np.stack(out, axis=1) out = undo_transforms(out, transformers) return out No newline at end of file else: return np.stack(out, axis=1) No newline at end of file deepchem/molnet/preset_hyper_parameters.py +1 −1 Original line number Diff line number Diff line Loading @@ -140,7 +140,7 @@ hps['graphconvreg'] = { hps['dtnn'] = { 'batch_size': 64, 'nb_epoch': 100, 'learning_rate': 0.0005, 'learning_rate': 0.001, 'n_embedding': 50, 'n_distance': 170, 'seed': 123 Loading deepchem/molnet/run_benchmark_models.py +1 −1 File changed.Contains only whitespace changes. Show changes Loading
deepchem/models/tensorgraph/models/graph_models.py +14 −12 Original line number Diff line number Diff line Loading @@ -185,14 +185,17 @@ class WeaveTensorGraph(TensorGraph): def predict_on_generator(self, generator, transformers=[], outputs=None): out = super(WeaveTensorGraph, self).predict_on_generator( generator, transformers=transformers, transformers=[], outputs=outputs) if outputs is None: outputs = self.outputs if len(outputs) == 1: if len(outputs) > 1: out = np.stack(out, axis=1) out = undo_transforms(out, transformers) return out else: return np.stack(out, axis=1) class DTNNTensorGraph(TensorGraph): Loading Loading @@ -345,7 +348,6 @@ class DTNNTensorGraph(TensorGraph): yield feed_dict ''' def predict(self, dataset, transformers=[], outputs=None): if outputs is None: outputs = self.outputs Loading @@ -357,7 +359,6 @@ class DTNNTensorGraph(TensorGraph): return retval retval = np.concatenate(retval, axis=-1) return undo_transforms(retval, transformers) ''' class DAGTensorGraph(TensorGraph): Loading Loading @@ -511,14 +512,15 @@ class DAGTensorGraph(TensorGraph): def predict_on_generator(self, generator, transformers=[], outputs=None): out = super(DAGTensorGraph, self).predict_on_generator( generator, transformers=transformers, transformers=[], outputs=outputs) if outputs is None: outputs = self.outputs if len(outputs) == 1: if len(outputs) > 1: out = np.stack(out, axis=1) out = undo_transforms(out, transformers) return out else: return np.stack(out, axis=1) class PetroskiSuchTensorGraph(TensorGraph): """ Loading
deepchem/models/tensorgraph/models/text_cnn.py +6 −5 Original line number Diff line number Diff line Loading @@ -274,11 +274,12 @@ class TextCNNTensorGraph(TensorGraph): def predict_on_generator(self, generator, transformers=[], outputs=None): out = super(TextCNNTensorGraph, self).predict_on_generator( generator, transformers=transformers, transformers=[], outputs=outputs) if outputs is None: outputs = self.outputs if len(outputs) == 1: if len(outputs) > 1: out = np.stack(out, axis=1) out = undo_transforms(out, transformers) return out No newline at end of file else: return np.stack(out, axis=1) No newline at end of file
deepchem/molnet/preset_hyper_parameters.py +1 −1 Original line number Diff line number Diff line Loading @@ -140,7 +140,7 @@ hps['graphconvreg'] = { hps['dtnn'] = { 'batch_size': 64, 'nb_epoch': 100, 'learning_rate': 0.0005, 'learning_rate': 0.001, 'n_embedding': 50, 'n_distance': 170, 'seed': 123 Loading
deepchem/molnet/run_benchmark_models.py +1 −1 File changed.Contains only whitespace changes. Show changes
