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+FROM python:3.11-slim
+
+LABEL org.scandium-labs.dataset.version="v0.1.0-rc.1"
+LABEL org.scandium-labs.dataset.description="Scandium-Dataset — Curated computational materials dataset for SSB discovery"
+
+SHELL ["/bin/bash", "-c"]
+
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    build-essential \
+    git \
+    wget \
+    && rm -rf /var/lib/apt/lists/*
+
+WORKDIR /app
+
+COPY requirements.txt .
+RUN pip install --no-cache-dir -r requirements.txt
+
+COPY . .
+
+RUN python3 -c "import ase, pymatgen, numpy, scipy; print('Dependencies OK')"
+
+ENTRYPOINT ["python3"]
+CMD ["--help"]