RetroTide

This python library designs PKSs automatically from chemical structures.

Build image:

docker build -t retrotide .

Run container

Open bash:

docker run -it --volume "${PWD}:/app" --workdir /app retrotide bash

Run jupyter notebooks:

docker run -it --volume "${PWD}:/app" --workdir /app -p 8888:8888 retrotide jupyter notebook --no-browser --ip=0.0.0.0 --allow-root