mcpalumbo/p2rank repository overview

⁠P2Rank (Docker)

Docker image for P2Rank⁠ — a machine-learning-based tool for ligand binding-site prediction from protein 3D structures.

This image is built from source on Ubuntu 24.04 with OpenJDK 21 and includes a ready-to-run prank command.

⁠🚀 Quick start

⁠Pull the image

docker pull mcpalumbo/p2rank

⁠Show help

docker run --rm -it mcpalumbo/p2rank prank help

⁠Run a prediction

Mount your current folder (so P2Rank can read/write your files):

docker run --rm -it -v "$PWD:/data" mcpalumbo/p2rank prank predict -f /data/structure.pdb -o /data

Results will be written in the same directory as your input file.