Update new_dataloader.py

new_dataloader.py

@@ -88,19 +88,19 @@ class DruggenDataset(InMemoryDataset):
         print('Created bonds encoder and decoder with {} bond types and 1 PAD symbol!'.format(
             self.bond_num_types - 1))        
         #dataset_names = str(self.dataset_name)
-        with open("DrugGEN/data/encoders/" +"atom_" + self.dataset_name + ".pkl","wb") as atom_encoders:
+        with open("data/encoders/" +"atom_" + self.dataset_name + ".pkl","wb") as atom_encoders:
             pickle.dump(self.atom_encoder_m,atom_encoders)
         
         
-        with open("DrugGEN/data/decoders/" +"atom_" +  self.dataset_name + ".pkl","wb") as atom_decoders:
+        with open("data/decoders/" +"atom_" +  self.dataset_name + ".pkl","wb") as atom_decoders:
             pickle.dump(self.atom_decoder_m,atom_decoders)
         
                
-        with open("DrugGEN/data/encoders/" +"bond_" +  self.dataset_name + ".pkl","wb") as bond_encoders:
+        with open("data/encoders/" +"bond_" +  self.dataset_name + ".pkl","wb") as bond_encoders:
             pickle.dump(self.bond_encoder_m,bond_encoders)
         
               
-        with open("DrugGEN/data/decoders/" +"bond_" +  self.dataset_name + ".pkl","wb") as bond_decoders:
+        with open("data/decoders/" +"bond_" +  self.dataset_name + ".pkl","wb") as bond_decoders:
             pickle.dump(self.bond_decoder_m,bond_decoders)
          
         return max_length, smiles_list # data is filtered now
@@ -147,11 +147,11 @@ class DruggenDataset(InMemoryDataset):
         return np.vstack((features, np.zeros((max_length - features.shape[0], features.shape[1]))))
 
     def decoder_load(self, dictionary_name, file):
-        with open("DrugGEN/data/decoders/" + dictionary_name + "_" + file + '.pkl', 'rb') as f:
+        with open("data/decoders/" + dictionary_name + "_" + file + '.pkl', 'rb') as f:
             return pickle.load(f)    
         
     def drugs_decoder_load(self, dictionary_name):
-        with open("DrugGEN/data/decoders/" + dictionary_name +'.pkl', 'rb') as f:
+        with open("data/decoders/" + dictionary_name +'.pkl', 'rb') as f:
             return pickle.load(f)      
         
     def matrices2mol(self, node_labels, edge_labels, strict=True, file_name=None):
@@ -180,7 +180,7 @@ class DruggenDataset(InMemoryDataset):
         
         ''' Loading the atom and bond decoders '''
         
-        with open("DrugGEN/data/decoders/" + dictionary_name +"_" + file +'.pkl', 'rb') as f:
+        with open("data/decoders/" + dictionary_name +"_" + file +'.pkl', 'rb') as f:
             
             return pickle.load(f) 
     def matrices2mol_drugs(self, node_labels, edge_labels, strict=True, file_name=None):
@@ -307,5 +307,5 @@ class DruggenDataset(InMemoryDataset):
 
    
 if __name__ == '__main__':
-    data = DruggenDataset("DrugGEN/data")
+    data = DruggenDataset("data")