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3 Commits

Author SHA1 Message Date
Greg Landrum
53523a4a11 support getNumAtoms and getNumHeavyAtoms in descriptors (#4200) 2021-06-04 11:48:07 -04:00
Greg Landrum
df2b6c8a8c Fixes #4167 (#4174) 2021-05-27 07:30:06 -04:00
Greg Landrum
1fe204841f Add Kier Phi descriptor (#3864) 
* Add Kier Phi descriptor along with tests

* warn about hybridization
 2021-03-06 09:40:27 -05:00