2026-09-18 xnn plug-in and MLFF distribution

Goal

Deliver xnn machine-learned force fields (MLFFs) as SEAMM model chemistries (the plug-in, released 2026.9.18/19), and design how the trained models themselves are published, discovered, cached and cited – see the scope document.

Contents:

• Distributing MLFFs: sidecar and catalog (draft 2026-09-18)
  • Why
  • Requirements gathered so far
  • The sidecar
  • The catalog
  • Resolution and caching
  • Utility (offline and secure sites)
  • Open questions