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v1.2.0 - Thermodynamic QC Fix, RAA Exo-Probe Architecture & Scientific Standardization

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@engkinandatama engkinandatama released this 15 Aug 06:41

What's New in v1.2.0

🐛 Critical Thermodynamic Fixes

  • ΔG Unit Normalization: Fixed unit mismatch in reranking.py where raw primer3-py ThermoAnalysis outputs (cal/mol) were compared directly against kcal/mol thresholds, ensuring precise thermodynamic filtering.
  • Two-Stage Re-ranking: Fully enabled multi-candidate ranking and QC filtering across PCR, qPCR, and RAA workflows.

🧬 RAA Exo-Probe Architecture

  • Automated Abasic (THF) Placement: Programmatic constraint-satisfaction algorithm enforcing TwistAmp Assay Design Manual rules (≥30 nt upstream, ≥15 nt downstream, dT-fluorophore/quencher coupling).
  • Configurable Reaction Temperatures: RAA probe Tm floor is now dynamically configurable (qc.probe_tm_min) for isothermal assays (37–42°C).

📚 Scientific References & Citations

  • Integrated peer-reviewed thermodynamic literature (SantaLucia 1998/2004, Owczarzy 2004/2008, Untergasser 2012, Piepenburg 2006).
  • Added standardized CITATION.cff for academic repository citations.
  • Added comprehensive in-silico benchmarking suite (scripts/benchmark_validation.py).

🧪 Automated Test Suite

  • 1,425 tests passing (100%).