Data and software supporting SushanCADD-Agent for automated protein-ligand computational assessment

Reviewer package for the JCIM manuscript ci-2026-018734. The archive contains machine-readable metadata, representative molecular input/structure/docking files, selected report excerpts, figure/source tables, a workflow-stage manifest, and a public-source retrieval script. Large MD trajectories, raw MD output directories, raw logs, and third-party binaries are not included. This reviewer package supports manuscript ci-2026-018734 and is intended for peer-review access through a private Zenodo preview link. The record is kept as an unpublished draft during review.