Fixed path in model folders

Author: ben-clancy

.gitignore

@@ -1,3 +1,4 @@
 .vscode/launch.json
 .vscode/settings.json
 command_line_tool/.vscode/launch.json
+*.pyc

cmpnn_toxidrome/run_cmpnn.py

@@ -1,19 +1,21 @@
 from os import listdir
+import os
 
 from cmpnn_toxidrome.chemprop_cmpnn.train import make_predictions
 
 from cmpnn_toxidrome.chemprop_cmpnn.parsing import parse_train_args
 from cmpnn_toxidrome.chemprop_cmpnn.parsing import modify_train_args
 
 def run_cmpnn(smiles):
-    toxidromes = listdir(f"C:/Users/bclancy/Desktop/projects/toxidrome_clt/cmpnn_toxidrome/toxidromes")
+    dir_path = os.path.dirname(os.path.realpath(__file__))
+    toxidromes = listdir(dir_path+"/toxidromes")
 
     all_preds = {}
     all_acc = {}
 
     for toxidrome in toxidromes:
         args = parse_train_args()
-        args.checkpoint_dir = f'C:/Users/bclancy/Desktop/projects/toxidrome_clt/cmpnn_toxidrome/toxidromes/{toxidrome}'
+        args.checkpoint_dir = dir_path+'/toxidromes/'+toxidrome
         modify_train_args(args)
         preds, smiles, acc = make_predictions(args, smiles)
 

dmpnn_toxidrome/run_dmpnn.py

@@ -1,12 +1,14 @@
 from os import listdir
+import os
 import chemprop
 import math
 
 from chemprop.train import make_predictions
 
 def run_dmpnn(smiles):
     smiles = [[s] for s in smiles]
-    toxidromes = listdir(f"C:/Users/bclancy/Desktop/projects/toxidrome_clt/dmpnn_toxidrome/toxidromes")
+    dir_path = os.path.dirname(os.path.realpath(__file__))
+    toxidromes = listdir(dir_path+"/toxidromes")
 
     all_preds = {}
     all_acc = {}
@@ -15,7 +17,7 @@ def run_dmpnn(smiles):
         arguments = [
             '--test_path', '/dev/null',
             '--preds_path', '/dev/null',
-            '--checkpoint_dir', f'C:/Users/bclancy/Desktop/projects/toxidrome_clt/dmpnn_toxidrome/toxidromes/{toxidrome}',
+            '--checkpoint_dir', dir_path+'/toxidromes/'+toxidrome,
             '--uncertainty_method', 'ensemble'
         ]
         args = chemprop.args.PredictArgs().parse_args(arguments)