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asad
ReactionDecoder
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SMILES-based MCS cache keys, LRU eviction, remove unused FP computation
CI
#64:
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Performance: parallel algorithms, cached cycles, fix aromatic bond en…
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Fix nbactions namespace, remove System.exit from ChemicalFormatParser
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Release v3.1.0: bump version for Maven deploy
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Final polish: fix autoboxing, final fields, null-safe getters, lineSe…
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AtomMatcher charge/isotope matching, GameTheory short-circuit, matrix…
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Major cleanup: SMSD 3.3.0, remove 448 synchronized, fix leaks, merge …
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Enable ALL tests: 132/132 pass, remove surefire exclusions
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Fix test chemistry, remove 66 EBIMatrix locks, validate inputs, clean…
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Remove 83 synchronized locks, add 6 chemistry edge-case tests, clean …
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Chemical robustness: fix stereo logic, deterministic maps, aromatic b…
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Extract magic numbers to constants, add 14 RXN/BRENDA tests
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Cache fingerprints, iterative GameTheory, remove gc() calls
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#52:
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Algorithm optimizations: fix critical bounds bug, O(1) lookups, faste…
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Migrate namespace uk.ac.ebi → com.bioinceptionlabs
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Fix bugs across aamtool, mechanism, and mapping packages
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#49:
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Fix critical bugs: NPE safety, resource leak, busy-wait
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Fix README: correct API example to match actual constructor signature
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Performance optimization, SMSD 3.2.0, expanded test suite
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Add 24 comprehensive biochemistry tests covering all 7 EC classes
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Release v3.0.0: SMSD 3.1.0, CDK 2.12, full modernization
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#44:
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Modernize ReactionDecoder: SMSD 3.0.0, CDK 2.12, optimize and clean
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