4 Commits

Author SHA1 Message Date
3e07402f4e feat(numbering): publish canonical numbering API
Add a public numbering module and route fragmenting, validation,
and scaffold preparation through the canonical numbering entry.

Rewrite the repository entry docs around the fixed numbering
contract, add MkDocs landing pages, and document the mirror
mapping used for medicinal-chemistry comparisons.

Also refresh the validation analysis reports to explain the
canonical-versus-mirrored numbering relationship.
2026-03-20 15:14:31 +08:00
d18133ce16 feat(validation): add SQLModel database models and fix relationships 2026-03-19 10:27:20 +08:00
c0ead42384 feat(toolkit): add classification and migration
Implement the standard/non-standard/not-macrolactone classification layer
and integrate it into analyzer, fragmenter, and CLI outputs.

Port the remaining legacy package capabilities into new visualization and
workflow modules, restore batch/statistics/SDF scripts on top of the flat
CSV workflow, and update active docs to the new package API.
2026-03-18 23:56:41 +08:00
a768d26e47 Move project docs to docs/project-docs and update references
- Move AGENTS.md, CLEANUP_SUMMARY.md, DOCUMENTATION_GUIDE.md,
  IMPLEMENTATION_SUMMARY.md, QUICK_COMMANDS.md to docs/project-docs/
- Update AGENTS.md to include splicing module documentation
- Update mkdocs.yml navigation to include project-docs section
- Update .gitignore to track docs/ directory
- Add docs/plans/ splicing design documents

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
2026-03-18 17:56:03 +08:00