Large-Scale Floes Release Notes

4.2.3 February 2025

Fixes

• An issue has been fixed that could cause the Gigadock Warp Floe to fail if a receptor with many constraints caused the vast majority of molecules to fail to dock because they cannot satisfy the constraints.

Changes

• The Pareto Frontier Consensus Floe has been removed from this package. It has been added to the new Large Scale Floes Hit-to-Lead package.

• The Multi Query 2D Similarity Floe has been removed from this package. It has been added to the new Large Scale Floes Hit-to-Lead package.