Commit 9ef09f2a authored by miaecle's avatar miaecle
Browse files

rerun test

parent 6253d3cb
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+10 −4
Original line number Diff line number Diff line
@@ -11,15 +11,21 @@ import deepchem
logger = logging.getLogger(__name__)


def load_clearance(featurizer='ECFP', split='random', reload=True):
def load_clearance(featurizer='ECFP',
                   split='random',
                   reload=True,
                   move_mean=True):
  """Load clearance datasets."""
  # Featurize clearance dataset
  logger.info("About to featurize clearance dataset.")
  logger.info("About to load clearance dataset.")
  data_dir = deepchem.utils.get_data_dir()
  if reload:
    save_dir = os.path.join(data_dir,
                            "clearance/" + featurizer + "/" + str(split))
    if move_mean:
      dir_name = "clearance/" + featurizer + "/" + str(split)
    else:
      dir_name = "clearance/" + featurizer + "_mean_unmoved/" + str(split)
    save_dir = os.path.join(data_dir, dir_name)

  dataset_file = os.path.join(data_dir, "clearance.csv")
  if not os.path.exists(dataset_file):
@@ -51,7 +57,7 @@ def load_clearance(featurizer='ECFP', split='random', reload=True):
  # Initialize transformers
  transformers = [
      deepchem.trans.NormalizationTransformer(
          transform_y=True, dataset=dataset)
          transform_y=True, dataset=dataset, move_mean=move_mean)
  ]

  logger.info("About to transform data")