• Extended stereo depiction
• Fixed wedge bonds depiction
• New PG and Rxn templates
• Integrated OPSIN, CDK, Indigo, OBabel
• New clean2d engines

Full Changelog: 2.13...2.15

Minor release.
Improved tautomers standardization

bugfix release for tautomers standardization

In some cases molecule object with non-changed tautomer after standardization generates non-canonical smiles.

Deprotection module refactored

Improved sticky SMILES API

Added number rotatable bonds, HBD/A, fraction C(SP3) calculation

MAKE SSSR GREAT AGAIN

• cython optimized SSSR #59
• fixed unpacking
• improved unpack function API

Full Changelog: 2.6...2.7

• Extended stereo basic support: CX and J&J SMILES parser, CX SMILES generator, only atoms, no reactor support
• Added heteroaryls tautomers canonicalization
• Better RDKit integration with to_rdkit and from_rdkit methods
• Clean2d now supports alternative RDKit engine.
• Conformer generation API implemented: RDKit and CDPKit (CONFORGE) engines added.
• New CGR-like representation generation without dynamic bonds and atoms
• Kekule now supports invalid imidazole fixing. Disabled by default. Useful for reaction enumerations of tautomers
• Improved sticky SMILES API
• Depiction API now support rendering into PNG or ZLib compressed SVG
• Fixed cis-trans stereo bug for keto-enols
• Fixed [BH3-]-C#N standardization
• Fixed reaction depiction coloring

Full Changelog: 2.5...2.6

Minor update

Fixed handling of valence errors in calculation of brutto formula and mol weight

Full Changelog: 2.4...2.5

What's Changed

• typo fix by @PGantzer in #56
• fixed Mac support

Full Changelog: 2.3...2.4