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Also add web app code for simple gradio app. Refine requirements.txt/environment.yml. Automatically download models if not present.
16 lines
427 B
Docker
16 lines
427 B
Docker
# This container is a basic web frontend, we do the heavy-lifting in the
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# main DiffDock image.
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FROM rbgcsail/diffdock
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USER $APPUSER
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WORKDIR $HOME/$DIR_NAME
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# Precompute series for SO(2) and SO(3) groups
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RUN micromamba run -n ${ENV_NAME} python utils/precompute_series.py
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# Expose port for web service
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EXPOSE 7860
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# Run app under micromamba environment
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CMD ["sh", "-c", "micromamba run -n ${ENV_NAME} python3 app/main.py"]
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