Loading deepchem/models/tests/test_api.py +1 −2 Original line number Diff line number Diff line Loading @@ -41,7 +41,6 @@ def test_singletask_sklearn_rf_ECFP_regression_API(): def test_singletask_sklearn_rf_user_specified_regression_API(): """Test of singletask RF USF regression API.""" splittype = "specified" featurizer = dc.feat.UserDefinedFeaturizer( ["user-specified1", "user-specified2"]) tasks = ["log-solubility"] Loading @@ -51,7 +50,7 @@ def test_singletask_sklearn_rf_user_specified_regression_API(): tasks=tasks, smiles_field="smiles", featurizer=featurizer) dataset = loader.create_dataset(input_file) splitter = dc.splits.SpecifiedSplitter(input_file, "split") splitter = dc.splits.RandomSplitter() train_dataset, test_dataset = splitter.train_test_split(dataset) transformers = [ Loading deepchem/splits/tests/test_splitter.py +0 −1 Original line number Diff line number Diff line Loading @@ -45,7 +45,6 @@ def load_solubility_data(): current_dir = os.path.dirname(os.path.abspath(__file__)) featurizer = dc.feat.CircularFingerprint(size=1024) tasks = ["log-solubility"] task_type = "regression" input_file = os.path.join(current_dir, "../../models/tests/example.csv") loader = dc.data.CSVLoader( tasks=tasks, smiles_field="smiles", featurizer=featurizer) Loading devtools/run_flake8.sh +1 −0 Original line number Diff line number Diff line Loading @@ -5,6 +5,7 @@ items=( "deepchem/dock" "deepchem/metrics" "deepchem/data" "deepchem/splits" ) for item in "${items[@]}" ; do Loading docs/splitters.rst +0 −12 Original line number Diff line number Diff line Loading @@ -41,18 +41,6 @@ IndiceSplitter .. autoclass:: deepchem.splits.IndiceSplitter :members: SpecifiedSplitter ----------------- .. autoclass:: deepchem.splits.SpecifiedSplitter :members: SpecifiedIndexSplitter ---------------------- .. autoclass:: deepchem.splits.SpecifiedIndexSplitter :members: RandomGroupSplitter ------------------- Loading Loading
deepchem/models/tests/test_api.py +1 −2 Original line number Diff line number Diff line Loading @@ -41,7 +41,6 @@ def test_singletask_sklearn_rf_ECFP_regression_API(): def test_singletask_sklearn_rf_user_specified_regression_API(): """Test of singletask RF USF regression API.""" splittype = "specified" featurizer = dc.feat.UserDefinedFeaturizer( ["user-specified1", "user-specified2"]) tasks = ["log-solubility"] Loading @@ -51,7 +50,7 @@ def test_singletask_sklearn_rf_user_specified_regression_API(): tasks=tasks, smiles_field="smiles", featurizer=featurizer) dataset = loader.create_dataset(input_file) splitter = dc.splits.SpecifiedSplitter(input_file, "split") splitter = dc.splits.RandomSplitter() train_dataset, test_dataset = splitter.train_test_split(dataset) transformers = [ Loading
deepchem/splits/tests/test_splitter.py +0 −1 Original line number Diff line number Diff line Loading @@ -45,7 +45,6 @@ def load_solubility_data(): current_dir = os.path.dirname(os.path.abspath(__file__)) featurizer = dc.feat.CircularFingerprint(size=1024) tasks = ["log-solubility"] task_type = "regression" input_file = os.path.join(current_dir, "../../models/tests/example.csv") loader = dc.data.CSVLoader( tasks=tasks, smiles_field="smiles", featurizer=featurizer) Loading
devtools/run_flake8.sh +1 −0 Original line number Diff line number Diff line Loading @@ -5,6 +5,7 @@ items=( "deepchem/dock" "deepchem/metrics" "deepchem/data" "deepchem/splits" ) for item in "${items[@]}" ; do Loading
docs/splitters.rst +0 −12 Original line number Diff line number Diff line Loading @@ -41,18 +41,6 @@ IndiceSplitter .. autoclass:: deepchem.splits.IndiceSplitter :members: SpecifiedSplitter ----------------- .. autoclass:: deepchem.splits.SpecifiedSplitter :members: SpecifiedIndexSplitter ---------------------- .. autoclass:: deepchem.splits.SpecifiedIndexSplitter :members: RandomGroupSplitter ------------------- Loading
