Dockerfile

FROM python:3.10-slim

# Install system dependencies (gcc, g++, make, X11 libs, etc.)
RUN apt-get update && apt-get install -y \
    gcc \
    g++ \
    make \
    swig \
    openbabel \
    libopenbabel-dev \
    libxrender1 \
    && rm -rf /var/lib/apt/lists/*
    
WORKDIR /app
COPY requirements.txt /app/requirements.txt
RUN pip install --no-cache-dir -r requirements.txt
COPY . /app
EXPOSE 8501
ENV STREAMLIT_SERVER_HEADLESS=true
CMD ["streamlit","run","app.py","--server.port=8501","--server.address=0.0.0.0", "--server.enableXsrfProtection=false"]