Update Dockerfile

Dockerfile

@@ -1,35 +1,37 @@
-# Use the official Hugging Face Spaces base image
-FROM python:3.10-slim
+# Use Python 3.9 slim image as base, which is a good choice for stability and size.
+FROM python:3.9-slim
 
-# Set working directory
-WORKDIR /home/user/app
+# Set the working directory inside the container
+WORKDIR /app
 
-# Install system dependencies
+# Install system dependencies required for RDKit and other graphical libraries.
+# This is a crucial step for rdkit-pypi to work correctly in a Linux container.
 RUN apt-get update && apt-get install -y \
-    curl \
+    gcc \
+    g++ \
+    libxext6 \
+    libxrender1 \
     && rm -rf /var/lib/apt/lists/*
 
-# Copy requirements and install Python dependencies
+# Copy the requirements file first to leverage Docker's layer caching.
+# The Docker build will only re-run the pip install step if this file changes.
 COPY requirements.txt .
-RUN pip install --no-cache-dir --upgrade pip && \
-    pip install --no-cache-dir "numpy<2.0.0" && \
-    pip install --no-cache-dir -r requirements.txt
 
-# Copy the application code
-COPY . .
+# Install the Python dependencies specified in requirements.txt
+RUN pip install --no-cache-dir -r requirements.txt
 
-# Create user
-RUN useradd -m -u 1000 user
-USER user
+# Copy the rest of your application code into the container
+COPY . .
 
-# Expose the port that Streamlit runs on
+# Expose the port that Streamlit will run on. Hugging Face Spaces typically uses 7860.
 EXPOSE 7860
 
-# Set environment variables for Streamlit
-ENV STREAMLIT_SERVER_PORT=7860
+# Set environment variables for Streamlit to run in a headless environment.
 ENV STREAMLIT_SERVER_ADDRESS=0.0.0.0
+ENV STREAMLIT_SERVER_PORT=7860
 ENV STREAMLIT_SERVER_HEADLESS=true
 ENV STREAMLIT_BROWSER_GATHER_USAGE_STATS=false
 
-# Run the Streamlit app
-CMD ["streamlit", "run", "app.py", "--server.port=7860", "--server.address=0.0.0.0"]
+# The command to run your Streamlit application when the container starts.
+# It points to the app.py file and sets the server address and port.
+CMD ["streamlit", "run", "app.py", "--server.port=7860", "--server.address=0.0.0.0"]