Utility Floes

v2.1.1 August 2025

General Notice

• This package is built using OpenEye-orionplatform==6.5.1, OpenEye-toolkits==2025.1.1, and OpenEye-Snowball==0.30.0.

Floe Updates

• The following improvement has been made to the OMEGA - 3D Conformer Ensemble Generation Floe: A new Conformer Generation Mode option, ROCS-TS, has been added which uses Thompson Sampling to generate conformers suitable for ROCS calculations.