Update Dockerfile

Dockerfile

@@ -1,21 +1,35 @@
 FROM python:3.9-slim
 
+# Set the working directory
 WORKDIR /app
 
-# Install system dependencies
+# Install system dependencies required by RDKit and Streamlit
 RUN apt-get update && apt-get install -y \
     build-essential \
     curl \
     git \
+    libxrender1 \
+    libglib2.0-0 \
+    libsm6 \
+    libxext6 \
+    libx11-6 \
     && rm -rf /var/lib/apt/lists/*
 
+# Set Streamlit environment variables to avoid permission issues
+ENV STREAMLIT_HOME="/app/.streamlit"
+ENV STREAMLIT_BROWSER_GATHERUSAGESTATS=false
+RUN mkdir -p /app/.streamlit
+
 # Upgrade pip
 RUN pip install --upgrade pip
 
-# Install PyTorch first to avoid torch-scatter import error
+# Install PyTorch first to avoid build issues with torch-scatter
 RUN pip install torch==2.1.2
 
-# Now install the rest of the requirements
+# Install torch-scatter and torch-sparse with appropriate PyTorch compatibility
+RUN pip install torch-scatter torch-sparse -f https://data.pyg.org/whl/torch-2.1.0+cpu.html
+
+# Install all remaining dependencies
 COPY requirements.txt ./
 RUN pip install --no-cache-dir -r requirements.txt
 
@@ -25,4 +39,5 @@ COPY src/ ./src/
 # Expose port and define entrypoint
 EXPOSE 8501
 HEALTHCHECK CMD curl --fail http://localhost:8501/_stcore/health
+
 ENTRYPOINT ["streamlit", "run", "src/streamlit_app.py", "--server.port=8501", "--server.address=0.0.0.0"]