feat: 15-60× faster fit() via indexed exact Tanimoto search + caching (v1.6.0)#4

Merged

guillaume-osmo merged 14 commits intomainfrom

feat/indexed-miners-speedup-v1.6.0

Nov 13, 2025

Commits on Nov 13, 2025

feat: 10-30× faster fit() via indexed exact Tanimoto search (v1.5.0)
guillaume-osmo
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feat: Phase 2 & 3 optimizations - fingerprint caching and micro-optimizations
guillaume-osmo
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docs: Update PR documentation with Phase 2 & 3 results
guillaume-osmo
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chore: Update version to 1.6.0 and fix dates to 2025
guillaume-osmo
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chore: Update version to 1.6.0 and fix dates to November 2025
guillaume-osmo
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fix: Update make_pairs_cpp to use Phase 2 & 3 optimizations
guillaume-osmo
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fix: Correct include order to fix Boost/Python header conflict
guillaume-osmo
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fix: Include boost/python/detail/wrap_python.hpp first to fix Boost/Python header conflict
guillaume-osmo
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fix: Remove direct boost/python include, let RDKit handle Boost.Python setup
guillaume-osmo
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fix: Include system Python.h first and add PYBIND11_SIMPLE_GIL_MANAGEMENT define
guillaume-osmo
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fix: Update setup.py to find RDKit wheel headers and add Conan Boost paths
guillaume-osmo
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fix: Add Phase 2/3 fingerprint caching support and fix RDKit wheel header detection
guillaume-osmo
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fix: Remove k_threshold and loo_smoothing_tau from C++ constructor call
guillaume-osmo
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feat: 15-60× faster fit() via indexed exact Tanimoto search + caching (v1.6.0)
guillaume-osmo
committed