Update requirements.txt

requirements.txt

@@ -1,17 +1,20 @@
 # ------------------------------------------------------------
-# PyTorch (CPU-only) — use official PyTorch CPU wheel index
+# Use PyPI for general packages, and add PyTorch CPU wheels as extra
 # ------------------------------------------------------------
---index-url https://download.pytorch.org/whl/cpu
-torch==2.2.1
-torchvision==0.17.1
-torchaudio==2.2.1
+--index-url https://pypi.org/simple
+--extra-index-url https://download.pytorch.org/whl/cpu
 
 # ------------------------------------------------------------
-# PyTorch Geometric (PyG)
-# IMPORTANT: Pin compiled ops to the exact wheels for torch 2.2.x CPU
-# See: https://data.pyg.org/whl/torch-2.2.1+cpu.html
+# PyTorch (CPU-only)
 # ------------------------------------------------------------
--f https://data.pyg.org/whl/torch-2.2.1+cpu.html
+torch==2.2.0
+torchvision==0.17.0
+torchaudio==2.2.0
+
+# ------------------------------------------------------------
+# PyTorch Geometric compiled wheels matched to torch 2.2.0 CPU
+# ------------------------------------------------------------
+-f https://data.pyg.org/whl/torch-2.2.0+cpu.html
 pyg-lib==0.4.0
 torch-scatter==2.1.2
 torch-sparse==0.6.18
@@ -48,8 +51,6 @@ beautifulsoup4>=4.12
 matplotlib>=3.7
 plotly>=5.18
 selfies>=2.1
-
-# Needed because your app imports: from dotenv import load_dotenv
 python-dotenv>=1.0.0
 
 # Chemistry