Merge pull request #2053 from deepchem/molnet_bucket (9436f338) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/bace_datasets.py

+1 −1

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		@@ -9,7 +9,7 @@ from deepchem.molnet.load_function.bace_features import bace_user_specified_feat
		logger = logging.getLogger(__name__)

		DEFAULT_DIR = deepchem.utils.get_data_dir()
		BACE_URL = 'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/bace.csv'
		BACE_URL = "https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/bace.csv"


		def load_bace_regression(featurizer='ECFP',

deepchem/molnet/load_function/bbbp_datasets.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -8,7 +8,7 @@ import deepchem
		logger = logging.getLogger(__name__)

		DEFAULT_DIR = deepchem.utils.get_data_dir()
		BBBP_URL = 'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/BBBP.csv'
		BBBP_URL = "https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/BBBP.csv"


		def load_bbbp(featurizer='ECFP',

deepchem/molnet/load_function/chembl25_datasets.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -12,7 +12,7 @@ import pickle
		from deepchem.feat import SmilesToSeq, SmilesToImage
		from deepchem.feat.smiles_featurizers import create_char_to_idx

		CHEMBL_URL = "https://s3-us-west-1.amazonaws.com/deepchem.io/datasets/chembl_25.csv.gz"
		CHEMBL_URL = "https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/chembl_25.csv.gz"
		DEFAULT_DIR = dc.utils.get_data_dir()

		logger = logging.getLogger(__name__)

deepchem/molnet/load_function/chembl_datasets.py

+8 −8

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		@@ -43,35 +43,35 @@ def load_chembl(shard_size=2000,
		if not os.path.exists(dataset_path):
		deepchem.utils.download_url(
		url=
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/chembl_5thresh.csv.gz',
		"https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/chembl_5thresh.csv.gz",
		dest_dir=data_dir)
		deepchem.utils.download_url(
		url=
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/chembl_sparse.csv.gz',
		"https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/chembl_sparse.csv.gz",
		dest_dir=data_dir)
		deepchem.utils.download_url(
		url=
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_5thresh_ts_test.csv.gz',
		"https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_5thresh_ts_test.csv.gz",
		dest_dir=data_dir)
		deepchem.utils.download_url(
		url=
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_5thresh_ts_train.csv.gz',
		"https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_5thresh_ts_train.csv.gz",
		dest_dir=data_dir)
		deepchem.utils.download_url(
		url=
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_5thresh_ts_valid.csv.gz',
		"https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_5thresh_ts_valid.csv.gz",
		dest_dir=data_dir)
		deepchem.utils.download_url(
		url=
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_sparse_ts_test.csv.gz',
		"https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_sparse_ts_test.csv.gz",
		dest_dir=data_dir)
		deepchem.utils.download_url(
		url=
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_sparse_ts_train.csv.gz',
		"https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_sparse_ts_train.csv.gz",
		dest_dir=data_dir)
		deepchem.utils.download_url(
		url=
		'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_sparse_ts_valid.csv.gz',
		"https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/chembl_year_sets/chembl_sparse_ts_valid.csv.gz",
		dest_dir=data_dir)

		if split == "year":

deepchem/molnet/load_function/clearance_datasets.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -8,7 +8,7 @@ import deepchem
		logger = logging.getLogger(__name__)

		DEFAULT_DIR = deepchem.utils.get_data_dir()
		CLEARANCE_URL = 'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/clearance.csv'
		CLEARANCE_URL = "https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/clearance.csv"


		def load_clearance(featurizer='ECFP',

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