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",
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