Commit f570ce8b authored by miaecle's avatar miaecle
Browse files

update for qm0

parent 741b002f

deepchem/metrics/__init__.py

+1 −1
Original line number Diff line number Diff line
@@ -183,7 +183,7 @@ class Metric(object): 
                     w=None,

                     n_classes=2,

                     filter_nans=True,

                     per_task_metrics=True):

                     per_task_metrics=False):

    """Compute a performance metric for each task.



    Parameters

deepchem/models/models.py

+1 −1
Original line number Diff line number Diff line
@@ -167,7 +167,7 @@ class Model(BaseEstimator): 
      y_pred = np.reshape(y_pred, (n_samples,))

    return y_pred



  def evaluate(self, dataset, metrics, transformers=[], per_task_metrics=False):

  def evaluate(self, dataset, metrics, transformers=[], per_task_metrics=True):

    """

    Evaluates the performance of this model on specified dataset.

examples/benchmark2.py

+8 −7
Original line number Diff line number Diff line
@@ -194,11 +194,12 @@ for dataset in datasets: 
                train, valid, test, tasks, transformers, n_features, metric,

                model, test=True, hyper_parameters=hyper_parameters, seed=seed)

          with open(os.path.join(out_path, 'final/results.csv'), 'a') as f:

            print(train_score)

            print(valid_score)

            writer = csv.writer(f)

            model_name = list(train_score.keys())[0]

            for i in train_score[model_name]:

            output_line = [

                dataset, str(split), mode, model_name, i, 'train',

              dataset, str(split), mode, model_name, 'train',

              str(train_score[model_name]), 'valid', str(valid_score[model_name]),

              'test', str(test_score[model_name])

            ]

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