Commits

Commits on Aug 23, 2026

reconstruct: try salt components alongside the intact reactant record

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20afdba
rules: add aziridine, hydrazine, epoxide, and activated carbonate templates

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dfe5f3b

Commits on Aug 16, 2026

update: refine Biginelli reaction rules, functional groups, and tests
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5745437

Commits on Aug 12, 2026

fingerprint: add protective group bits, drop 32-byte width
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4dfc8c2
fix: adjust sticky_smiles right terminal behavior
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22ad4f2

Commits on Aug 11, 2026

2.23.1: propagate tries/hydrogens; right sticky end drops its bond

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034b7c6

Commits on Aug 10, 2026

prevent: bar masked atoms from driving couplings as handles or leaving groups
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441c955

Commits on Aug 8, 2026

update: expand README features and optional extras
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8aa5bab
depict: smooth bond joints at unlabeled carbons
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d89a645
depict: keep inner aromatic dashes inside the ring
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7e86bbd
rdkit: read and write enhanced stereo (AND/OR groups)
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1066a0c
rdkit: don't export a 2d layout that doesn't exist
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a17c80d
molecule: keep _conformers consistent with the atom set by construction
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1d4049e

Commits on Aug 6, 2026

mdl: raise on V2000 coordinate that overflows the 10-char column

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4a79b9f
mdl: wrap V3000 lines to the 80-char limit on write

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claude
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c2806f9
mdl: fix V3000 line-continuation detection independent of trailing newline
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0947c74
molecule: add iupac property (structure->name via openclatura)
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d35f46a
groups: pyridone O-couplings and aryl_hydroxyl sticker handle
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23243b4

Commits on Aug 3, 2026

Commits on Aug 2, 2026

Commits on Jul 29, 2026

deprotection and stickers API changed
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088c137

Commits on Jul 27, 2026

Commits on Jul 25, 2026

added new SMARTS patterns: acyl_bromide, anhydride, nhs_ester; refined weinreb_amide to exclude N-acyloxy imides.
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05caf24

Commits on Jul 15, 2026

added SSSR timeout handling, updated cython dependencies, and introduced `noexcept nogil` optimizations for ring perception.
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23f3bfd

Commits on Jul 11, 2026

fixed mapping overlap in carbonyl deprotections.
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04200b8
added FG+descriptors binary fingerprint.
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d9b7dcf
new fragment patterns.
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f140d7a