Commit 9a69c6fd authored by miaecle's avatar miaecle
Browse files

molnet first draft

parent 9bed010b

deepchem/molnet/load_function/chembl_datasets.py

+1 −1
Original line number Diff line number Diff line
@@ -18,7 +18,7 @@ def load_chembl(shard_size=2000, featurizer="ECFP", set="5thresh", split="random 
    data_dir = "/tmp"

  

  dataset_path = os.path.join(

      data_dir, "./chembl_%s.csv.gz" % set)

      data_dir, "chembl_%s.csv.gz" % set)

  if not os.path.exists(dataset_path):

    os.system('wget -P ' + data_dir + 

    ' http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/chembl_5thresh.csv.gz')

deepchem/molnet/load_function/clintox_datasets.py

+1 −1
Original line number Diff line number Diff line
@@ -20,7 +20,7 @@ def load_clintox(featurizer='ECFP', split='index'): 
    data_dir = "/tmp"

  

  dataset_file = os.path.join(

      data_dir, "./clintox.csv.gz")

      data_dir, "clintox.csv.gz")

  if not os.path.exists(dataset_file):

    os.system('wget -P ' + data_dir + 

    ' http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/clintox.csv.gz')

deepchem/molnet/load_function/delaney_datasets.py

+2 −3
Original line number Diff line number Diff line
@@ -18,9 +18,8 @@ def load_delaney(featurizer='ECFP', split='index'): 
    data_dir = "/tmp"

  

  dataset_file = os.path.join(

      data_dir, "./delaney-processed.csv")

  print(dataset_file)

  print(os.path.exists(dataset_file))

      data_dir, "delaney-processed.csv")



  if not os.path.exists(dataset_file):

    os.system('wget -P ' + data_dir + 

    ' http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/delaney-processed.csv')

deepchem/molnet/load_function/hiv_datasets.py

+1 −1
Original line number Diff line number Diff line
@@ -19,7 +19,7 @@ def load_hiv(featurizer='ECFP', split='index'): 
    data_dir = "/tmp"

  

  dataset_file = os.path.join(

      data_dir, "./HIV.csv")

      data_dir, "HIV.csv")

  if not os.path.exists(dataset_file):

    os.system('wget -P ' + data_dir + 

    ' http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/HIV.csv')

deepchem/molnet/load_function/muv_datasets.py

+1 −1
Original line number Diff line number Diff line
@@ -18,7 +18,7 @@ def load_muv(featurizer='ECFP', split='index'): 
    data_dir = "/tmp"

  

  dataset_file = os.path.join(

      data_dir, "./muv.csv.gz")

      data_dir, "muv.csv.gz")

  if not os.path.exists(dataset_file):

    os.system('wget -P ' + data_dir + 

    ' http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/muv.csv.gz')

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