pKa Prediction Floes
v0.2.0 September 2025
General Notice
This package is built using
OpenEye-toolkits==2025.1.1
,OpenEye-orionplatform==6.7.0
, andOpenEye-Snowball==0.30.0
.
Feature Updates
The resonance has been fixed in cases where unfavorable structures were generated due to enumerating protonated and deprotonated states of atoms within or around aromatic rings.
The LogD calculation has been improved.
The UI/UX experience in workfloe Job Forms has been improved.