Files
DiffDock/app/Dockerfile
Jacob Silterra d9114a44ae Add Dockerfile for creating container.
Also add web app code for simple gradio app.
Refine requirements.txt/environment.yml.
Automatically download models if not present.
2024-02-28 11:37:18 -05:00

16 lines
427 B
Docker

# 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"]