4496dd6316615a1e6c940e0c911aa74d7cae0d2b,deepchem/molnet/load_function/hopv_datasets.py,,load_hopv,#Any#Any#Any#,12

Before Change


    deepchem.utils.download_url(
        "http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/hopv.tar.gz"
    )
    os.system("tar -zxvf " + os.path.join(data_dir, "hopv.tar.gz") + " -C " +
              data_dir)

  hopv_tasks = [
      "HOMO", "LUMO", "electrochemical_gap", "optical_gap", "PCE", "V_OC",

After Change


  Load HOPV datasets. Does not do train/test split
  // Featurize HOPV dataset
  print("About to featurize HOPV dataset.")
  data_dir = deepchem.utils.get_data_dir()
  if reload:
    save_dir = os.path.join(data_dir, "hopv/" + featurizer + "/" + split)

  dataset_file = os.path.join(data_dir, "hopv.csv")
  if not os.path.exists(dataset_file):
    deepchem.utils.download_url(
        "http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/hopv.tar.gz"
    )
    deepchem.utils.untargz_file(
        os.path.join(data_dir, "hopv.tar.gz"), data_dir)

  hopv_tasks = [
      "HOMO", "LUMO", "electrochemical_gap", "optical_gap", "PCE", "V_OC",
Italian Trulli
In pattern: SUPERPATTERN

Frequency: 5

Non-data size: 8

Instances


Project Name: deepchem/deepchem
Commit Name: 4496dd6316615a1e6c940e0c911aa74d7cae0d2b
Time: 2017-10-06
Author: jbesnard@exscientia.co.uk
File Name: deepchem/molnet/load_function/hopv_datasets.py
Class Name:
Method Name: load_hopv


Project Name: deepchem/deepchem
Commit Name: 4496dd6316615a1e6c940e0c911aa74d7cae0d2b
Time: 2017-10-06
Author: jbesnard@exscientia.co.uk
File Name: deepchem/molnet/load_function/hopv_datasets.py
Class Name:
Method Name: load_hopv


Project Name: deepchem/deepchem
Commit Name: 4496dd6316615a1e6c940e0c911aa74d7cae0d2b
Time: 2017-10-06
Author: jbesnard@exscientia.co.uk
File Name: deepchem/molnet/load_function/qm7_datasets.py
Class Name:
Method Name: load_qm7


Project Name: deepchem/deepchem
Commit Name: 4496dd6316615a1e6c940e0c911aa74d7cae0d2b
Time: 2017-10-06
Author: jbesnard@exscientia.co.uk
File Name: deepchem/molnet/load_function/pdbbind_datasets.py
Class Name:
Method Name: featurize_pdbbind


Project Name: deepchem/deepchem
Commit Name: 6901f77179a4e574ead6e8d6a06433f11747b00a
Time: 2017-09-27
Author: jbesnard@exscientia.co.uk
File Name: deepchem/molnet/load_function/qm9_datasets.py
Class Name:
Method Name: load_qm9


Project Name: deepchem/deepchem
Commit Name: 4496dd6316615a1e6c940e0c911aa74d7cae0d2b
Time: 2017-10-06
Author: jbesnard@exscientia.co.uk
File Name: deepchem/molnet/load_function/qm8_datasets.py
Class Name:
Method Name: load_qm8