v0.0.5: Prepare release v.0.0.5

Changelog for syntemp

New Release Highlights

Improvements

• ITSGraph Enhancements
  • ITSGraph now robustly handles Unsanitized RDKit Molecules. This update resolves previous issues with hydrogen mapping, allowing for the direct use of hydrogen annotations within SMILES/SMARTS when transforming to ITSGraph. This enhancement improves the accuracy and utility of molecule transformations in computational chemistry workflows.

Deprecations

• Consolidation of Similar Subpackages
  • As part of our ongoing efforts to streamline our software and improve maintainability, we have begun consolidating similar subpackages across projects into the synutility package. This shift means that functionalities previously found in SynChemistry, SynUtils, and SynVis are now deprecated and will be phased out. These subpackages are scheduled for removal in version 0.0.10. Users are encouraged to transition to synutility to continue receiving updates and support.

Codebase Cleanup

• Function Consolidation
  • We have reduced redundancy in our codebase by eliminating overlapping functions. Key functionalities have been refined and integrated into synutility, enhancing coherence and reducing bloat in the syntemp package. This cleanup supports a leaner, more efficient suite of tools for our users.