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+FROM python:3.10-slim
+
+# Create user with UID 1000 for Hugging Face Spaces non-root security
+RUN useradd -m -u 1000 user
+WORKDIR /app
+
+# Install system dependencies (OpenMP libgomp1 for PyTorch / RDKit)
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    build-essential \
+    curl \
+    libgomp1 \
+    && rm -rf /var/lib/apt/lists/*
+
+# Install Python dependencies
+COPY requirements.txt .
+RUN pip install --no-cache-dir --upgrade pip && \
+    pip install --no-cache-dir -r requirements.txt
+
+# Copy application code, configs, raw data, and checkpoints
+COPY configs/ ./configs/
+COPY data/raw/ ./data/raw/
+COPY results/checkpoints/ ./results/checkpoints/
+COPY src/ ./src/
+COPY app/ ./app/
+COPY frontend/dist/ ./frontend/dist/
+
+RUN chown -R user:user /app
+USER user
+
+ENV PORT=8000 \
+    LOW_MEMORY_MODE=1 \
+    PYTHONUNBUFFERED=1
+
+EXPOSE 8000
+
+HEALTHCHECK --interval=30s --timeout=5s --start-period=15s --retries=3 \
+  CMD curl -f http://localhost:8000/api/health || exit 1
+
+CMD ["sh", "-c", "uvicorn app.server:app --host 0.0.0.0 --port ${PORT:-8000}"]