d52ed986c4bd1454c1d1bfabb6e47031c56712b4,deepchem/molnet/load_function/zinc15_datasets.py,,load_zinc15,#,40

Before Change

  my_tasks = ["mwt", "logp", "reactive"]  // machine learning targets

  // Get params specific to ZINC15
  dataset_size = zinc15_kwargs.get("dataset_size", "250K")
  dataset_dimension = zinc15_kwargs.get("dataset_dimension", "2D")

  // Raise warnings and list other available options
  if dataset_size not in ["250K", "1M", "10M"]:

After Change

  if dataset_size == "270M":
    answer = ""
    while answer not in ["y", "n"]:
      answer = input(You"re about to download 270M SMILES strings.
        This dataset is 23GB. Are you sure you want to continue? (Y/N)
                    ).lower()
    if answer == "n":
      raise ValueError("Choose a smaller dataset_size.")

  dataset_filename = "zinc15_" + dataset_size + "_" + dataset_dimension + ".tar.gz"

Instances