Update app.py

app.py

@@ -5,6 +5,14 @@ import copy
 import os
 import torch
 
+import subprocess
+
+## dirty hack since torch_geometric depends on torch being installed already, so we can't install both via requirements
+try:
+    import torch_geometric
+except ImportError:
+    subprocess.call(['pip', 'install', 'torch-scatter', 'torch-sparse', 'torch-cluster', 'torch-spline-conv', 'torch-geometric', '-f', 'https://data.pyg.org/whl/torch-1.12.0+cu102.html'])
+
 import time
 from argparse import ArgumentParser, Namespace, FileType
 from rdkit.Chem import RemoveHs