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Releases: chython/chython

2.18

10 May 14:36

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  • extended extended stereo support
  • reorganized PG and reactors
  • dropped some dependencies
  • fixed atom mapped
  • new api for reaction enumerations

Full Changelog: 2.17...2.18

2.17

28 Apr 21:20

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Extended stereo handling by reactors
Docs regenerated

Full Changelog: 2.16...2.17

2.16

07 Mar 15:52

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What's Changed

  • metal split and remover now conditional
  • bond length rescaler exposed as a method
  • UPD: workflow for macos arm and x86 by @aigulkhkmv in #64

New Contributors

Full Changelog: 2.15...2.16

2.15

30 Dec 17:26

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  • 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

2.13

27 Nov 18:17

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Minor release.
Improved tautomers standardization

2.12

21 Nov 13:29

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bugfix release for tautomers standardization

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

2.11

20 Nov 06:50

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Deprotection module refactored

2.9

05 Oct 17:02

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2.9

Improved sticky SMILES API

2.8

26 Sep 07:57

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2.8

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

2.7

23 Aug 19:19
ea6e2ed

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2.7

MAKE SSSR GREAT AGAIN

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

Full Changelog: 2.6...2.7

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