mgyigit commited on
Commit
7f4892b
1 Parent(s): 92db821

Update smiles_cor.py

Browse files
Files changed (1) hide show
  1. smiles_cor.py +2 -2
smiles_cor.py CHANGED
@@ -1230,7 +1230,7 @@ class smi_correct(object):
1230
  self.SEED = 42
1231
  random.seed(self.SEED)
1232
  self.model_name = model_name
1233
- self.folder_out = "DrugGEN/data/"
1234
 
1235
  self.trans_file_path = trans_file_path
1236
 
@@ -1242,7 +1242,7 @@ class smi_correct(object):
1242
  self.threshold = 200
1243
  self.data_source = f"PAPYRUS_{self.threshold}"
1244
  os.environ["CUDA_VISIBLE_DEVICES"] = "0"
1245
- self.initialize_source = 'DrugGEN/data/papyrus_rnn_S.csv' # change this path
1246
 
1247
  def standardization_pipeline(self, smile):
1248
  desalter = MolStandardize.fragment.LargestFragmentChooser()
 
1230
  self.SEED = 42
1231
  random.seed(self.SEED)
1232
  self.model_name = model_name
1233
+ self.folder_out = "data/"
1234
 
1235
  self.trans_file_path = trans_file_path
1236
 
 
1242
  self.threshold = 200
1243
  self.data_source = f"PAPYRUS_{self.threshold}"
1244
  os.environ["CUDA_VISIBLE_DEVICES"] = "0"
1245
+ self.initialize_source = 'data/papyrus_rnn_S.csv' # change this path
1246
 
1247
  def standardization_pipeline(self, smile):
1248
  desalter = MolStandardize.fragment.LargestFragmentChooser()