版本发布 5
## What's Changed * updating to latest LinkML and switching to uv build system by @cmungall in https://github.com/chemkg/chemrof/pull/47 ### **1. Build System Improvements** - **Modern tooling**: Migration to `uv` is excellent - faster, more reliable dependency resolution - **Proper dependency groups**: Clear separation between runtime and dev dependencies - **Dynamic versioning**: Uses `uv-dynamic-versioning` for git-based version management - **Build system modernization**: Switched from setuptools to hatchling with proper configuration ### **2. Schema Enhancements** - **Comprehensive mappings**: Added numerous `exact_mappings` to external ontologies (CHEBI, SIO, BFO) - **InChI support expansion**: Added detailed InChI sublayer slots for better stereochemistry support: - `inchi_atom_connections_sublayer` - `inchi_hydrogen_connections_sublayer` - `inchi_charge_sublayer` - `inchi_stereochemical_*` sublayers - **Improved semantic alignment**: Better integration with standard chemical ontologies - **Enhanced reaction modeling**: Added `class_uri` and mappings for `Reaction` class **Full Changelog**: https://github.com/chemkg/chemrof/compare/v0.3.3...v0.3.4
## What's Changed * Add AI controller documentation (closes #32) by @dragon-ai-agent in https://github.com/chemkg/chemrof/pull/33 * Add examples for all classes in schema (Issue #28) by @dragon-ai-agent in https://github.com/chemkg/chemrof/pull/31 * Add water solubility and pKa ionization constant properties to ChemROF schema by @dragon-ai-agent and @realmarcin in https://github.com/chemkg/chemrof/pull/36 **Full Changelog**: https://github.com/chemkg/chemrof/compare/v0.3.1...v0.3.2
## What's Changed * smirks by @cmungall in https://github.com/chemkg/chemrof/pull/26 * Add berkelium (Bk) chemical element example by @dragon-ai-agent in https://github.com/chemkg/chemrof/pull/30 ## New Contributors * @dragon-ai-agent made their first contribution in https://github.com/chemkg/chemrof/pull/30 **Full Changelog**: https://github.com/chemkg/chemrof/compare/v0.3.0...v0.3.1
## What's Changed * fixing header by @cmungall in https://github.com/chemkg/chemrof/pull/8 * Fixes for FIX vocabulary by @cmungall in https://github.com/chemkg/chemrof/pull/24 * Use the official UniProt PURLs, for the usual very good reasons by @JervenBolleman in https://github.com/chemkg/chemrof/pull/22 * Propose has_major_microspecies_at_pH7.3 by @JervenBolleman in https://github.com/chemkg/chemrof/pull/20 * Regenerated downstream artefacts. by @cmungall in https://github.com/chemkg/chemrof/pull/25 ## New Contributors * @JervenBolleman made their first contribution in https://github.com/chemkg/chemrof/pull/22 **Full Changelog**: https://github.com/chemkg/chemrof/compare/v0.2.0...v0.3.0
**Full Changelog**: https://github.com/chemkg/chemrof/compare/v0.1.0...v0.2.0