[Feature request] Singularity support #65
Description
Hi,
Most HPC facilities do not support docker for security reasons, and many researchers don't have a A100 on their desk.
While we can pull the docker image with Singularity, the AI2BMD script seems very hard-coded towards docker and does not function on non-privileged container environments.
Could you help us modify the script such that it either uses Singularity for containers, or that it runs inside the container and does not try to spin it up itself?
Thank you