Project scopeΒΆ

The source-of-truth scope document is maintained in the repository at docs/project-scope.md. Published documentation links to the stable repository copy so the reference remains valid after ReadTheDocs builds HTML pages.

Read the full scope document on GitHub: docs/project-scope.md.

In brief, SAMMD is a Python-first builder/exporter of OpenFF/OpenMM-ready chemistry, structure, and parameter artifacts for self-assembled monolayers on metal supports. SAMMD builds; OpenMM runs minimization, equilibration, production, trajectories, and reporters. The present milestone focuses on reliable configuration, deterministic planning, OpenFF Interchange export, documentation, and a canonical notebook.