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Bump RDT version to 3.4.0 CI #113: Commit c07419a pushed by asad
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Bump RDT version to 3.4.0 CI #112: Commit 47658f2 pushed by asad
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Bump SMSD to 5.2.1 CI #111: Commit 41e54b1 pushed by asad
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Update README: 156 tests, 68 files, SMSD 4.3.0, 99.8% RXN coverage CI #110: Commit 0315d88 pushed by asad
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Bump SMSD to 4.3.0 CI #109: Commit ff2d35e pushed by asad
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Improve reagent filter: known-solvent dictionary + catalyst metal det… CI #108: Commit ce4a0ad pushed by asad
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Add reagent/solvent pre-filter using Tanimoto fingerprint similarity CI #107: Commit cddbd32 pushed by asad
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Add 5 USPTO challenge cases: reductive amination, alkylation, Friedel… CI #106: Commit d4e86b0 pushed by asad
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Bump version to 3.3.0 CI #105: Commit 4f420f1 pushed by asad
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SMSD 4.2.0, fix funnel for large reactions, 598/599 mapped (99.8%) CI #104: Commit 96efccd pushed by asad
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Merge 10 small classes into consumers (68 files total) CI #103: Commit 5cfadfd pushed by asad
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Add WL graph hash for canonical reaction fingerprinting (IP-free) CI #102: Commit e4cc5b5 pushed by asad
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Add AllRXNTest: comprehensive test for all 603 RXN resource files CI #101: Commit cfdc74b pushed by asad
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Update README: performance table, citations, EC-BLAST + Leber references CI #100: Commit 71cede4 pushed by asad
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Move ImageGenerator + EBIMatrix to legacy package CI #99: Commit 05f30ee pushed by asad
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Add 5 Leber thesis challenge cases, 148 tests pass CI #98: Commit 48d4fbe pushed by asad
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Add hierarchical canonical reaction signature (R-string) CI #97: Commit 12aa5a8 pushed by asad
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Enhance API: reaction centre fingerprint, similarity, RDT.compare() CI #96: Commit a452cfd pushed by asad
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Release v3.2.0: Toolkit-agnostic graph model + clean public API CI #95: Commit 7fe0194 pushed by asad
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Add clean public API: RDT.map(smiles) → ReactionResult CI #94: Commit 95f5bc0 pushed by asad
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SMSD 4.0.1, graph model constructors on ReactionMechanismTool CI #93: Commit 9366268 pushed by asad
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Add CDK adapter layer for toolkit-agnostic graph model CI #92: Commit 04f5d99 pushed by asad
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Add graph-based model interfaces for toolkit abstraction CI #91: Commit 97e82f2 pushed by asad
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Remove dead writeMappingRXN method from CallableAtomMappingTool CI #90: Commit c23cdda pushed by asad
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Remove 2750 lines dead code, move optional files to optional package CI #89: Commit 95b6640 pushed by asad
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