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• 8478abbbaa docs(validation): add macrolactone fragmentation report codex/macrolactone-fragment-report hotwa 2026-03-24 22:35:05 +08:00
• 3e07402f4e feat(numbering): publish canonical numbering API main lingyuzeng 2026-03-20 15:14:31 +08:00
• 8071a141ee feat(validation): archive key result assets lingyuzeng 2026-03-19 21:29:54 +08:00
• f6bf9e85a3 chore(validation-output): add gt3 fragment export lingyuzeng 2026-03-19 21:20:56 +08:00
• 46a438dd36 feat(validation): enforce single-anchor fragments lingyuzeng 2026-03-19 14:20:32 +08:00
• 07ba27be2b docs: add MacrolactoneDB validation module usage to README lingyuzeng 2026-03-19 12:20:12 +08:00
• f43f0520ce chore: remove validation_output and add to gitignore lingyuzeng 2026-03-19 11:45:02 +08:00
• bb42044faf refactor(validation): use ml_id as primary ID, add chembl_id field lingyuzeng 2026-03-19 11:44:56 +08:00
• 360cbc487e feat(data): add MacrolactoneDB data directory with ml_id column lingyuzeng 2026-03-19 11:43:45 +08:00
• 13dd336e37 fix(validation): handle exceptions in sampling and processing lingyuzeng 2026-03-19 10:33:10 +08:00
• a9052bbf89 feat(validation): export validation module from package lingyuzeng 2026-03-19 10:32:05 +08:00
• dc2812842e feat(validation): add CLI entry point script lingyuzeng 2026-03-19 10:31:38 +08:00
• e3c08ad8c0 feat(validation): add main validator class lingyuzeng 2026-03-19 10:31:08 +08:00
• 4e869bb693 feat(validation): add visualization output module lingyuzeng 2026-03-19 10:29:13 +08:00
• 1e36e52112 feat(validation): add stratified sampling by ring size lingyuzeng 2026-03-19 10:28:38 +08:00
• 2e3b52d049 feat(validation): add isotope tagging utilities lingyuzeng 2026-03-19 10:28:03 +08:00
• d18133ce16 feat(validation): add SQLModel database models and fix relationships lingyuzeng 2026-03-19 10:27:20 +08:00
• d0cdf50ed5 feat(validation): add SQLModel database models lingyuzeng 2026-03-19 10:23:47 +08:00
• c0ead42384 feat(toolkit): add classification and migration lingyuzeng 2026-03-18 23:56:41 +08:00
• 9ccbcfcd04 chore(repo): ignore project worktrees lingyuzeng 2026-03-18 23:35:56 +08:00
• 5e7b236f31 feat(toolkit): ship macro_lactone_toolkit package lingyuzeng 2026-03-18 22:06:45 +08:00
• a768d26e47 Move project docs to docs/project-docs and update references hotwa 2026-03-18 17:56:03 +08:00
• 68f171ad1d Add splicing module and related tests hotwa 2026-03-18 17:47:00 +08:00
• 0ced0fa816 Add AGENTS.md and ring numbering test hotwa 2026-01-23 09:53:27 +08:00
• 0d99f7d12c first add hotwa 2025-11-14 20:34:58 +08:00