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Releases: caltechmsc/dreid-typer

v0.5.0

13 Feb 05:28
12ccdbb

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🩹 Fixes

  • Generate All Three Inversion Terms per Planar Center - by @TKanX in #22

Full Changelog: v0.4.0...v0.5.0

v0.4.0

09 Dec 14:09
87d0595

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🚀 Features

  • Expand Default Ruleset with Comprehensive Metal Ions - by @TKanX in #20

🩹 Fixes

  • Gracefully Handle Isolated Metals with Unknown Valence - by @TKanX in #18

🛠 Improvements

  • Accelerate Ring Perception with Bond-Aware Adjacency - by @TKanX in #16

Full Changelog: v0.3.0...v0.4.0

v0.3.0

09 Dec 14:06
0263924

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🚀 Features

  • Decouple Graph and Topology Bond Orders and Enforce Strict Resonance - by @TKanX in #14

Full Changelog: v0.2.1...v0.3.0

v0.2.1

17 Nov 03:46
dd01bc3

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🩹 Fixes

  • Overhaul Chemical Perception for Full Resonance Modeling - by @TKanX in #12

Full Changelog: v0.2.0...v0.2.1

v0.2.0

19 Oct 06:31
735d9f5

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🚀 Features

  • Implement Automatic Charge and Lone Pair Perception - by @TKanX in #10

Full Changelog: v0.1.0...v0.2.0

v0.1.0

15 Oct 02:05
ec7d341

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🚀 Features

  • Architect Core Data Structures and Project Foundation - by @TKanX in #2
  • Implement Chemical Feature Perception and Rule Engine - by @TKanX in #4
  • Implement Atom Typing Engine and Topology Builder - by @TKanX in #6
  • Finalize Public API, Add Documentation, and Integration Tests - by @TKanX in #8

New Contributors

  • @TKanX made their first contribution in #2

Full Changelog: https://github.com/caltechmsc/dreid-typer/commits/v0.1.0