7849d99c32d026dc3a61a73357a0b5afc360de10,examples/gdb7/gdb7_tf_model.py,,,#,13

Before Change


X = train_dataset.X
fit_transformers = [dc.trans.CoulombFitTransformer(X, num_atoms=23)]

regression_metric = dc.metrics.Metric(dc.metrics.mean_absolute_error, 
                                      mode="regression")
model = dc.models.TensorflowMultiTaskFitTransformRegressor(
    n_tasks=len(gdb7_tasks), n_features=23,
    learning_rate=.001, momentum=.8, batch_size=512,
    weight_init_stddevs=[1/np.sqrt(2000),1/np.sqrt(800),1/np.sqrt(800),1/np.sqrt(1000)],

After Change


X = train_dataset.X
fit_transformers = [dc.trans.CoulombFitTransformer(X, num_atoms)]

regression_metric = [dc.metrics.Metric(dc.metrics.mean_absolute_error, 
                                      mode="regression"), dc.metrics.Metric(dc.metrics.pearson_r2_score,
				      mode="regression")]
model = dc.models.TensorflowMultiTaskFitTransformRegressor(
    n_tasks=len(gdb7_tasks), n_features=23,
    learning_rate=.0002, momentum=.8, batch_size=512,
    weight_init_stddevs=[1/np.sqrt(2000),1/np.sqrt(800),1/np.sqrt(800),1/np.sqrt(1000)],
Italian Trulli
In pattern: SUPERPATTERN

Frequency: 3

Non-data size: 3

Instances


Project Name: deepchem/deepchem
Commit Name: 7849d99c32d026dc3a61a73357a0b5afc360de10
Time: 2017-01-18
Author: joegomes@stanford.edu
File Name: examples/gdb7/gdb7_tf_model.py
Class Name:
Method Name:


Project Name: mlflow/mlflow
Commit Name: 9199dfcdf27b7395e5094acececa52b26ca4e6e2
Time: 2019-04-16
Author: smurching@gmail.com
File Name: tests/entities/test_run_data.py
Class Name: TestRunData
Method Name: _create


Project Name: deepchem/deepchem
Commit Name: 0dfcb436d20ed2f398b124cd26c2690bda5d6d81
Time: 2017-07-30
Author: zqwu@stanford.edu
File Name: examples/qm8/qm8_MPNN.py
Class Name:
Method Name: