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Rust conversion#8

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elkins merged 5 commits into
masterfrom
rust-conversion
May 20, 2026
Merged

Rust conversion#8
elkins merged 5 commits into
masterfrom
rust-conversion

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@elkins elkins commented May 20, 2026

Description

Please include a summary of the changes and related issues. Include motivation and context.

Fixes #(issue number)

Type of Change

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to change)
  • Documentation update
  • Performance improvement
  • Code refactoring

Changes Made

  • Change 1
  • Change 2
  • ...

Testing

Describe the tests you ran and how to reproduce them.

# Example test commands
  • All tests pass locally
  • Added new tests for new functionality
  • Updated documentation

Checklist

  • Code follows project style guidelines (black, isort)
  • Self-review completed
  • Comments added for complex logic
  • Documentation updated
  • No new warnings generated
  • Tests updated or added
  • Type hints added where applicable

Performance Impact

Describe any performance implications of this change.

Screenshots/Examples (if applicable)

Add screenshots or code examples demonstrating the change.

Additional Context

Add any other context about the PR here.

elkins added 3 commits May 20, 2026 16:55
- Ported core modules: element, graph, molecule, kinetics, thermo, states, species, reaction
- Implemented VF2 isomorphism and Morgan connectivity algorithms in Rust
- Reimplemented adjacency list parsing and generation
- Ported comprehensive unit test suite with 1:1 behavioral parity
- Added Criterion.rs benchmarks demonstrating 500x+ speedup over Python
- Updated CI/CD to use Rust toolchain
- Removed legacy Python codebase
Comment thread .github/workflows/ci.yml Fixed
elkins and others added 2 commits May 20, 2026 18:39
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Co-authored-by: Copilot Autofix powered by AI <62310815+github-advanced-security[bot]@users.noreply.github.com>
@elkins elkins merged commit cb058d6 into master May 20, 2026
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2 participants