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Commits

Commits on Nov 17, 2025

phenol deprotection
stsouko
committed
bc55942
alcohol deprotection
stsouko
committed
9955b15

Commits on Oct 21, 2025

reduced data control restrictions
stsouko
committed
24dcb85
fixed cache invalidation
stsouko
committed
4841d77

Commits on Oct 6, 2025

sticky api fix
stsouko
committed
19f77ad

Commits on Oct 5, 2025

sticky smiles api update
stsouko
committed
c9cc554

Commits on Sep 27, 2025

bump
stsouko
committed
9cb81e9
fix attr copy
stsouko
committed
45d8702
fix cache invalidation bug on atoms or bonds deletion
stsouko
committed
ea147ca

Commits on Sep 26, 2025

C SP3 fraction fix
stsouko
committed
156100f
C SP3 fraction added
stsouko
committed
cea1409
implemented number rotatable bonds calculation
stsouko
committed
a43024c

Commits on Sep 5, 2025

downgrade builder for compatibility with bookworm
stsouko
committed
1c5d7a0

Commits on Aug 29, 2025

added compatibility for miniracers
stsouko
committed
ea9a800

Commits on Aug 24, 2025

fixed SSSR bug
stsouko
committed
579f001

Commits on Aug 23, 2025

SSSR cython (#59)
stsouko
authored
ea6e2ed

Commits on Aug 22, 2025

fixed unpacking
stsouko
committed
b57110f

Commits on Aug 9, 2025

add CDPKit support to conformer generation API
stsouko
committed
82bcc22
clean2d api update
stsouko
committed
4017ca3
rescaling integrated into clean2d with rdkit engine.
stsouko
committed
6b9c6c2

Commits on Aug 8, 2025

fix to_rdkit method for structures with invalid valences.
stsouko
committed
fa04c41

Commits on Jul 25, 2025

Commits on Jul 24, 2025

improved sticky smiles algorithm.
stsouko
committed
9effff8
fixed kekulization of broken pyrroles
stsouko
committed
35459a4
depiction api update
stsouko
committed
02fbc53
Fixed reaction arrow color in depictions
stsouko
committed
fca1664
implemented reaction into pseudo CGR composition, which returns molecule with reactants state and any bonds instead of dynamic.
stsouko
committed
fe97cf6
rdkit converter now supports implicit hydrogens dropping
stsouko
committed
6c1306d
fixed copy bug
stsouko
committed
52af99f

Commits on Jul 23, 2025

clean2d now supports multiple engines: smiles drawer by default and rdkit.
stsouko
committed
2d0f9c1
rdkit integration refactored.
stsouko
committed
6566388
jnj extended smiles parser implemented
stsouko
committed
9c54570

Commits on Jul 22, 2025

implemented extended stereo OR and AND group notation.
stsouko
committed
aa62807

Commits on Jul 17, 2025

fixed NaBH3CN standardization
stsouko
committed
52d91df