Loading datasets/Positive Modulators Summary_ 918.TUC _ v1.xlsx 0 → 100644 +41.8 KiB File added.No diff preview for this file type. View file deepchem/models/tensorgraph/models/graph_models.py +3 −1 Original line number Diff line number Diff line Loading @@ -585,7 +585,9 @@ class GraphConvTensorGraph(TensorGraph): print('Starting epoch %i' % epoch) for ind, (X_b, y_b, w_b, ids_b) in enumerate( dataset.iterbatches( self.batch_size, pad_batches=True, deterministic=deterministic)): self.batch_size, pad_batches=pad_batches, deterministic=deterministic)): d = {} for index, label in enumerate(self.my_labels): if self.mode == 'classification': Loading devtools/jenkins/test_notebooks.sh +3 −0 Original line number Diff line number Diff line Loading @@ -15,6 +15,9 @@ conda install -y ipywidgets conda install -y zlib conda install -y cmake yes | pip install gym[atari] conda install -y -c auto pubchempy conda install -y xlrd conda install -y seaborn cd examples/notebooks nosetests --with-timer tests.py --with-xunit --xunit-file=notebook_tests.xml|| true Loading docs/source/notebooks/dataset_preparation.rst 0 → 100644 +4 −0 Original line number Diff line number Diff line Creating a high fidelity DeepChem dataset from experimental data ================================================================ .. notebook:: dataset_preparation docs/source/notebooks/index.rst +1 −0 Original line number Diff line number Diff line Loading @@ -23,6 +23,7 @@ them in Jupyter:: graph_convolutional_networks_for_tox21 mnist Multitask_Networks_on_MUV dataset_preparation Contributing tutorials Loading Loading
datasets/Positive Modulators Summary_ 918.TUC _ v1.xlsx 0 → 100644 +41.8 KiB File added.No diff preview for this file type. View file
deepchem/models/tensorgraph/models/graph_models.py +3 −1 Original line number Diff line number Diff line Loading @@ -585,7 +585,9 @@ class GraphConvTensorGraph(TensorGraph): print('Starting epoch %i' % epoch) for ind, (X_b, y_b, w_b, ids_b) in enumerate( dataset.iterbatches( self.batch_size, pad_batches=True, deterministic=deterministic)): self.batch_size, pad_batches=pad_batches, deterministic=deterministic)): d = {} for index, label in enumerate(self.my_labels): if self.mode == 'classification': Loading
devtools/jenkins/test_notebooks.sh +3 −0 Original line number Diff line number Diff line Loading @@ -15,6 +15,9 @@ conda install -y ipywidgets conda install -y zlib conda install -y cmake yes | pip install gym[atari] conda install -y -c auto pubchempy conda install -y xlrd conda install -y seaborn cd examples/notebooks nosetests --with-timer tests.py --with-xunit --xunit-file=notebook_tests.xml|| true Loading
docs/source/notebooks/dataset_preparation.rst 0 → 100644 +4 −0 Original line number Diff line number Diff line Creating a high fidelity DeepChem dataset from experimental data ================================================================ .. notebook:: dataset_preparation
docs/source/notebooks/index.rst +1 −0 Original line number Diff line number Diff line Loading @@ -23,6 +23,7 @@ them in Jupyter:: graph_convolutional_networks_for_tox21 mnist Multitask_Networks_on_MUV dataset_preparation Contributing tutorials Loading
