ee2bc2a8daaba5717e49917831ddf8229d1ebe70,deepchem/hyperparameters/tests/test_hyperparam_opt.py,TestHyperparamOptAPI,test_singletask_sklearn_rf_ECFP_regression_hyperparam_opt,#TestHyperparamOptAPI#,49

Before Change


    task_type = "regression"
    task_types = {task: task_type for task in tasks}
    input_file = "example.csv"
    train_dataset, valid_dataset, _, output_transformers, = \
        self._featurize_train_test_split(
            splittype, compound_featurizers, 
            complex_featurizers, input_transformer_classes,

After Change


    task_type = "regression"
    task_types = {task: task_type for task in tasks}
    input_file = os.path.join(self.current_dir, "example.csv")
    featurizer = DataFeaturizer(tasks=tasks,
                                smiles_field=self.smiles_field,
                                featurizers=featurizers,
                                verbosity="low")
    dataset = featurizer.featurize(input_file, self.data_dir)

    splitter = ScaffoldSplitter()
    train_dataset, valid_dataset, test_dataset = splitter.train_valid_test_split(
        dataset, self.train_dir, self.valid_dir, self.test_dir)

    input_transformers = []
    output_transformers = [
        NormalizationTransformer(transform_y=True, dataset=train_dataset)]
Italian Trulli
In pattern: SUPERPATTERN

Frequency: 3

Non-data size: 14

Instances


Project Name: deepchem/deepchem
Commit Name: ee2bc2a8daaba5717e49917831ddf8229d1ebe70
Time: 2016-05-30
Author: bharath.ramsundar@gmail.com
File Name: deepchem/hyperparameters/tests/test_hyperparam_opt.py
Class Name: TestHyperparamOptAPI
Method Name: test_singletask_sklearn_rf_ECFP_regression_hyperparam_opt


Project Name: deepchem/deepchem
Commit Name: ee2bc2a8daaba5717e49917831ddf8229d1ebe70
Time: 2016-05-30
Author: bharath.ramsundar@gmail.com
File Name: deepchem/hyperparameters/tests/test_hyperparam_opt.py
Class Name: TestHyperparamOptAPI
Method Name: test_multitask_tf_mlp_ECFP_classification_hyperparam_opt


Project Name: deepchem/deepchem
Commit Name: ee2bc2a8daaba5717e49917831ddf8229d1ebe70
Time: 2016-05-30
Author: bharath.ramsundar@gmail.com
File Name: deepchem/hyperparameters/tests/test_hyperparam_opt.py
Class Name: TestHyperparamOptAPI
Method Name: test_multitask_keras_mlp_ECFP_classification_hyperparam_opt