d1dc4e10fb6edeafe36429b672448b87bb8a795a,deepchem/molnet/load_function/qm8_datasets.py,,load_qm8,#Any#Any#Any#,12

Before Change

def load_qm8(featurizer="CoulombMatrix", split="random", reload=True):
  if "DEEPCHEM_DATA_DIR" in os.environ:
    data_dir = os.environ["DEEPCHEM_DATA_DIR"]
  else:
    data_dir = "/tmp"
  if reload:
    save_dir = os.path.join(data_dir, "qm8/" + featurizer + "/" + split)

  if featurizer in ["CoulombMatrix", "BPSymmetryFunction", "MP", "Raw"]:
    dataset_file = os.path.join(data_dir, "qm8.sdf")
    if not os.path.exists(dataset_file):
      os.system(
          "wget -P " + data_dir +
          " http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/gdb8.tar.gz "
      )
      os.system("tar -zxvf " + os.path.join(data_dir, "gdb8.tar.gz") + " -C " +
                data_dir)
  else:
    dataset_file = os.path.join(data_dir, "qm8.csv")
    if not os.path.exists(dataset_file):
      os.system(
          "wget -P " + data_dir +
          " http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/qm8.csv "
      )

  qm8_tasks = [
      "E1-CC2", "E2-CC2", "f1-CC2", "f2-CC2", "E1-PBE0", "E2-PBE0", "f1-PBE0",

After Change

def load_qm8(featurizer="CoulombMatrix", split="random", reload=True):
  data_dir = deepchem.utils.get_data_dir()
  if reload:
    save_dir = os.path.join(data_dir, "qm8/" + featurizer + "/" + split)

  if featurizer in ["CoulombMatrix", "BPSymmetryFunction", "MP", "Raw"]:
    dataset_file = os.path.join(data_dir, "qm8.sdf")
    if not os.path.exists(dataset_file):
      deepchem.utils.download_url(
          "http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/gdb8.tar.gz"
      )
      os.system("tar -zxvf " + os.path.join(data_dir, "gdb8.tar.gz") + " -C " +
                data_dir)
  else:
    dataset_file = os.path.join(data_dir, "qm8.csv")
    if not os.path.exists(dataset_file):
      deepchem.utils.download_url(
          "http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/qm8.csv"
      )

  qm8_tasks = [
      "E1-CC2", "E2-CC2", "f1-CC2", "f2-CC2", "E1-PBE0", "E2-PBE0", "f1-PBE0",

Instances