Issues

• not able to smirksify double bonds in different clusters for cis/trans butene

  MobleyLab/chemper#100 · Filter by author wutobias opened on Apr 29, 2022
  1

• Ring closure bonds missing

  MobleyLab/chemper#99 · Filter by author jthorton opened on Aug 13, 2020

• The jupyter notebooks were not updated when name changes occurred.

  help wanted
  MobleyLab/chemper#95 · Filter by author bannanc opened on Mar 12, 2020
  2

• Add mybinder support for jupyter notebook examples

  long term
  MobleyLab/chemper#93 · Filter by author bannanc opened on Aug 26, 2019

• Uncomment and fix URL tests

  long term
  MobleyLab/chemper#91 · Filter by author bannanc opened on Jul 14, 2019

• Decide how to handle possible 'static' methods

  long term
  MobleyLab/chemper#89 · Filter by author bannanc opened on Jul 2, 2019

• Recursive SMIRKS patterns should be considered

  long term
  MobleyLab/chemper#88 · Filter by author bannanc opened on Jul 2, 2019

• Remove option to remove one bond or decorator

  MobleyLab/chemper#87 · Filter by author bannanc opened on May 6, 2019
  2

• Update adapters to use collections.abc?

  long term
  MobleyLab/chemper#85 · Filter by author bannanc opened on May 4, 2019
  2

• Fix inconsistencies with scoring ties in networkx

  long term
  MobleyLab/chemper#74 · Filter by author bannanc opened on Feb 22, 2019
  2

• Change recursive functions to while loops

  long termquestion
  MobleyLab/chemper#57 · Filter by author bannanc opened on Nov 26, 2018
  1

• Should be trying variable numbers of layers?

  long termquestion
  MobleyLab/chemper#53 · Filter by author bannanc opened on Oct 26, 2018
  1

• Determine the order of SMIRKS patterns

  long term
  MobleyLab/chemper#47 · Filter by author bannanc opened on Oct 23, 2018
  2

• Update intro in Docs

  enhancement
  MobleyLab/chemper#42 · Filter by author bannanc opened on Oct 15, 2018

• Matching atoms and storage in cluster_graph

  long termquestion
  MobleyLab/chemper#28 · Filter by author bannanc opened on Jul 12, 2018
  1

• Efficiency when searching for SMIRKS matches

  long term
  MobleyLab/chemper#12 · Filter by author bannanc opened on Apr 26, 2018
  1