0f3a46f85bbc2bbf1fe5d96db25b83dd62172da6,deepchem/models/tests/test_overfit.py,TestOverfit,test_BP_symmetry_function_overfit,#TestOverfit#,1039
Before Change
n_tasks = y.shape[1]
batch_size = 10
transformers = [
dc.trans.NormalizationTransformer(transform_y=True, dataset=dataset),
dc.trans.ANITransformer(
max_atoms=13,
atom_cases=[1, 6, 7, 8],
atomic_number_differentiated=False,
radial_cutoff=8.,
angular_cutoff=5.,
radial_length=8,
angular_length=4)
]
for transformer in transformers:
dataset = transformer.transform(dataset)
n_feat = transformers[-1].get_num_feats() - 1
model = dc.models.ANIRegression(
n_tasks,
13,
n_feat,
After Change
batch_size = 10
transformers = [
dc.trans.NormalizationTransformer(transform_y=True, dataset=dataset),
]
for transformer in transformers:
In pattern: SUPERPATTERN
Frequency: 3
Non-data size: 5
Instances
Project Name: deepchem/deepchem
Commit Name: 0f3a46f85bbc2bbf1fe5d96db25b83dd62172da6
Time: 2017-09-29
Author: proteneer@gmail.com
File Name: deepchem/models/tests/test_overfit.py
Class Name: TestOverfit
Method Name: test_BP_symmetry_function_overfit
Project Name: deepchem/deepchem
Commit Name: 12cd0759c82480173978bbeeb8ef9ec5829e6542
Time: 2016-09-19
Author: bharath.ramsundar@gmail.com
File Name: deepchem/models/tests/test_generalize.py
Class Name: TestGeneralization
Method Name: test_sklearn_transformed_regression
Project Name: deepchem/deepchem
Commit Name: ef5bea10009f63196be7b17772836917c230be42
Time: 2017-09-29
Author: proteneer@gmail.com
File Name: deepchem/models/tests/test_overfit.py
Class Name: TestOverfit
Method Name: test_ANI_multitask_regression_overfit