Merge pull request #869 from Dgelemi/continue_replacing_tar_call (64ebabbb) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/hopv_datasets.py

+1 −2

Original line number	Diff line number	Diff line
		@@ -22,8 +22,7 @@ def load_hopv(featurizer='ECFP', split='index', reload=True):
		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)
		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',

+6 −6

Original line number	Diff line number	Diff line
		@@ -34,12 +34,12 @@ def featurize_pdbbind(data_dir=None, feat="grid", subset="core"):
		deepchem.utils.download_url(
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/featurized_datasets/refined_grid.tar.gz'
		)
		os.system('tar -zxvf ' + os.path.join(data_dir, 'core_grid.tar.gz') + ' -C '
		+ data_dir)
		os.system('tar -zxvf ' + os.path.join(data_dir, 'full_grid.tar.gz') + ' -C '
		+ data_dir)
		os.system('tar -zxvf ' + os.path.join(data_dir, 'refined_grid.tar.gz') +
		' -C ' + data_dir)
		deepchem.utils.untargz_file(
		os.path.join(data_dir, 'core_grid.tar.gz'), data_dir)
		deepchem.utils.untargz_file(
		os.path.join(data_dir, 'full_grid.tar.gz'), data_dir)
		deepchem.utils.untargz_file(
		os.path.join(data_dir, 'refined_grid.tar.gz'), data_dir)

		return deepchem.data.DiskDataset(dataset_dir), tasks

+1 −2

Original line number	Diff line number	Diff line
		@@ -145,8 +145,7 @@ def load_qm7(featurizer='CoulombMatrix', split='random', reload=True):
		deepchem.utils.download_url(
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/gdb7.tar.gz'
		)
		os.system('tar -zxvf ' + os.path.join(data_dir, 'gdb7.tar.gz') + ' -C ' +
		data_dir)
		deepchem.utils.untargz_file(os.path.join(data_dir, 'gdb7.tar.gz'), data_dir)

		qm7_tasks = ["u0_atom"]
		if featurizer == 'CoulombMatrix':

+2 −2

Original line number	Diff line number	Diff line
		@@ -20,8 +20,8 @@ def load_qm8(featurizer='CoulombMatrix', split='random', reload=True):
		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)
		deepchem.utils.untargz_file(
		os.path.join(data_dir, 'gdb8.tar.gz'), data_dir)
		else:
		dataset_file = os.path.join(data_dir, "qm8.csv")
		if not os.path.exists(dataset_file):