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16 Open 41 Closed
16 Open 41 Closed
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Issues list

not able to smirksify double bonds in different clusters for cis/trans butene
#100 opened Apr 29, 2022 by wutobias
1
Ring closure bonds missing
#99 opened Aug 13, 2020 by jthorton
The jupyter notebooks were not updated when name changes occurred. help wanted Extra attention is needed
#95 opened Mar 12, 2020 by bannanc
2
Add mybinder support for jupyter notebook examples long term Caitlin did not have time to address
#93 opened Aug 26, 2019 by bannanc
Uncomment and fix URL tests long term Caitlin did not have time to address
#91 opened Jul 14, 2019 by bannanc
Decide how to handle possible 'static' methods long term Caitlin did not have time to address
#89 opened Jul 2, 2019 by bannanc
Recursive SMIRKS patterns should be considered long term Caitlin did not have time to address
#88 opened Jul 2, 2019 by bannanc
Remove option to remove one bond or decorator
#87 opened May 6, 2019 by bannanc
2
Update adapters to use collections.abc? long term Caitlin did not have time to address
#85 opened May 4, 2019 by bannanc
2
Fix inconsistencies with scoring ties in networkx long term Caitlin did not have time to address
#74 opened Feb 22, 2019 by bannanc
2
Change recursive functions to while loops long term Caitlin did not have time to address question Needs to be explored further
#57 opened Nov 26, 2018 by bannanc
1
Should be trying variable numbers of layers? long term Caitlin did not have time to address question Needs to be explored further
#53 opened Oct 26, 2018 by bannanc
1
Determine the order of SMIRKS patterns long term Caitlin did not have time to address
#47 opened Oct 23, 2018 by bannanc
2
Update intro in Docs enhancement New feature or request
#42 opened Oct 15, 2018 by bannanc
10 tasks
Matching atoms and storage in cluster_graph long term Caitlin did not have time to address question Needs to be explored further
#28 opened Jul 12, 2018 by bannanc
1
Efficiency when searching for SMIRKS matches long term Caitlin did not have time to address
#12 opened Apr 26, 2018 by bannanc
1
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