| # This container is a basic web frontend, we do the heavy-lifting in the | |
| # main DiffDock image. | |
| FROM rbgcsail/diffdock | |
| USER $APPUSER | |
| WORKDIR $HOME/$DIR_NAME | |
| # Precompute series for SO(2) and SO(3) groups | |
| RUN micromamba run -n ${ENV_NAME} python utils/precompute_series.py | |
| # Expose port for web service | |
| EXPOSE 7860 | |
| # Run app under micromamba environment | |
| CMD ["sh", "-c", "micromamba run -n ${ENV_NAME} python3 app/main.py"] | |