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FROM python:3.10-slim
# Avoid interactive prompts
ENV DEBIAN_FRONTEND=noninteractive
# System deps (important for RDKit / ML)
RUN apt-get update && apt-get install -y \
git \
git-lfs \
build-essential \
sqlite3 \
&& rm -rf /var/lib/apt/lists/*
# Install git-lfs
RUN git lfs install
# Set working directory
WORKDIR /app
# Copy dependency files first (better caching)
COPY requirements.txt .
RUN pip install --upgrade pip setuptools wheel \
&& pip install -r requirements.txt
# Copy the rest of the project
COPY . .
# Editable install
RUN pip install -e .
# Default command (can override)
# Expose Gradio port
EXPOSE 7860
# Run Gradio app
CMD ["python", "app.py"]
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