Integrated docs and workshop layer
Scientific docs, roadmap and workshop material
This documentation layer keeps the same spirit as the interactive pages: mathematically explicit, visually motivated, and honest about what is a local orbital model versus what would require full electronic-structure computation.
Architecture
Why the engine is built around local spherical-harmonic bases, tiny linear-algebra problems, and on-demand rendering.
- docs/ARCHITECTURE.md
- server-side vs client-side decomposition
- scaling strategy for molecules and proteins
Roadmap
Implementation milestones from small-molecule hardening to biomolecules, π-systems and crystallographic overlays.
- docs/ROADMAP.md
- performance budgets
- triangle and payload strategy
Workshop material
A structured teaching path that preserves the current style of the project while turning it into a reusable learning and development framework.
- workshop/WORKSHOP_NOTES.md
- session ideas and exercises
- molecule-to-protein escalation
Crystallographic concept
How to extend the orbital layer toward semi-crystalline and macromolecular environments without overclaiming thermodynamic certainty.
- design/CRYSTALLOGRAPHIC_VISUALIZATION.md
- packing and donor/acceptor overlays
- local polarity clouds and contact reasoning
Guiding rule. We should render local chemistry elegantly and quickly on demand, while clearly separating: observed structure, geometric inference, local orbital construction, delocalized π treatment, and any thermodynamic interpretation.