Merge pull request #61 from DeepRank/fix_train_loss_bug

fix small typo

deeprank_gnn/NeuralNet.py

@@ -76,7 +76,7 @@ def __init__(self, database, Net,
                         f"                  task='class',"
                         f"                  shuffle=True,"
                         f"                  percent=[0.8, 0.2])")
-           
+
             if self.task == 'class' and self.threshold == None:
                 print('the threshold for accuracy computation is set to {}'.format(self.classes[1]))
                 self.threshold = self.classes[1]
@@ -212,7 +212,7 @@ def put_model_to_device(self, dataset, Net):
             print(torch.cuda.get_device_name(0))
 
         self.num_edge_features = len(self.edge_feature)
-        
+
         # regression mode
         if self.task == 'reg':
             self.model = Net(dataset.get(
@@ -279,17 +279,17 @@ def train(self, nepoch=1, validate=False, save_model='last', hdf5='train_data.hd
 
         # Open output file for writting
         with h5py.File(fname, 'w') as self.f5:
-            
+
             # Number of epochs
             self.nepoch = nepoch
-            
+
             # Loop over epochs
             self.data = {}
             for epoch in range(1, nepoch+1):
 
                 # Train the model
                 self.model.train()
-                
+
                 t0 = time()
                 _out, _y, _loss, self.data['train'] = self._epoch(epoch)
                 t = time() - t0
@@ -298,7 +298,7 @@ def train(self, nepoch=1, validate=False, save_model='last', hdf5='train_data.hd
                 self.train_y = _y
                 _acc = self.get_metrics('train', self.threshold).accuracy
                 self.train_acc.append(_acc)
-                
+
                 # Print the loss and accuracy (training set)
                 self.print_epoch_data(
                     'train', epoch, _loss, _acc, t)
@@ -332,7 +332,7 @@ def train(self, nepoch=1, validate=False, save_model='last', hdf5='train_data.hd
                 else:
                     # if no validation set, saves the best performing model on the traing set
                     if save_model == 'best':
-                        if min(self.train_loss) == _train_loss:
+                        if min(self.train_loss) == _loss:
                             print(
                                 'WARNING: The training set is used both for learning and model selection.')
                             print(
@@ -345,7 +345,7 @@ def train(self, nepoch=1, validate=False, save_model='last', hdf5='train_data.hd
                 # Save epoch data
                 if (save_epoch == 'all') or (epoch == nepoch):
                     self._export_epoch_hdf5(epoch, self.data)
-                    
+
                 elif (save_epoch == 'intermediate') and (epoch % save_every == 0):
                     self._export_epoch_hdf5(epoch, self.data)
 
@@ -354,7 +354,7 @@ def train(self, nepoch=1, validate=False, save_model='last', hdf5='train_data.hd
                 self.save_model(filename='t{}_y{}_b{}_e{}_lr{}.pth.tar'.format(
                     self.task, self.target, str(self.batch_size), str(nepoch), str(self.lr)))
 
-                
+
     def test(self, database_test=None, threshold=4, hdf5='test_data.hdf5'):
         """
         Tests the model
@@ -396,9 +396,9 @@ def test(self, database_test=None, threshold=4, hdf5='test_data.hdf5'):
             # Run test
             _out, _y, _test_loss, self.data['test'] = self.eval(
                 self.test_loader)
-            
+
             self.test_out = _out
-            
+
             if len(_y) == 0:
                 self.test_y = None
                 self.test_acc = None
@@ -409,7 +409,7 @@ def test(self, database_test=None, threshold=4, hdf5='test_data.hdf5'):
 
             self.test_loss = _test_loss
             self._export_epoch_hdf5(0, self.data)
-                
+
 
     def eval(self, loader):
         """