Podman (the POD MANager) is a tool for managing containers and images, volumes mounted into those containers, and pods made from groups of containers. Podman runs containers on Linux, but can also be ...

CNN-based rescoring of DiffDock binding poses using GNINA. Accepts the full DiffDock JSON response and re-ranks poses by three scores. Score interpretation: minimizedAffinity (kcal/mol): more negative ...