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Issues: mojaie/MolecularGraph.jl

Breaking changes in version 0.16.0
#105 opened Jan 10, 2024 by mojaie
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16 Open 64 Closed
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Issues list

InChI layers missing from Mol object
#107 opened Feb 7, 2024 by timoleistner
1
Breaking changes in version 0.16.0 announcement Just to announce
#105 opened Jan 10, 2024 by mojaie
Some oxygens appear to be SP3 hybridized and aromatic at the same time
#100 opened Aug 24, 2023 by Boxylmer
3
API changes in v0.15.0 announcement Just to announce
#98 opened Jun 29, 2023 by mojaie
add format converter
#96 opened Jun 14, 2023 by hhaensel
12
Support for parsing smiles with per-atom labels e.g. atom mapping
#87 opened Mar 1, 2023 by doncamilom
5
Bug in SMARTS queries
#76 opened Sep 16, 2022 by eahenle
4
Morgan Fingerprint help wanted Extra attention is needed
#72 opened Apr 9, 2022 by CaiYitao
4
R-Group and text node enhancement New feature or request
#71 opened Mar 22, 2022 by mojaie
isatomvisible kwarg to allow drawing of carbon atoms?
#69 opened Feb 26, 2022 by SimonEnsemble
4
mol to smiles function (solving)
#67 opened Dec 28, 2021 by Leticia-maria
@Leticia-maria
2
MMP enhancement New feature or request
#55 opened Feb 4, 2021 by mojaie
Performance of common substructure/maximalcliques
#50 opened Dec 10, 2020 by timholy
4
CIP and stereochemistry enhancement New feature or request
#29 opened Aug 2, 2020 by mojaie
Layout mechanism in drawing enhancement New feature or request
#28 opened Aug 2, 2020 by mojaie
2
moltosmiles function? enhancement New feature or request
#23 opened Jul 24, 2020 by richardskim111
3
ProTip! Updated in the last three days: updated:>2024-06-02.