Large Scale Floes Release Notes

4.3.1 December 2025

Fixes

  • The Gigadock Collection to Hi-res FastROCS Collection Floe has been adjusted to create smaller shards to address an out-of-memory error that could occur in the FastROCS Plus Floe.

  • The default name of the output design unit field has been changed from “Design Unit” to “designunit” in the Gigadock and Gigadock Warp Floes.

  • An issue has been fixed where the FastROCS Plus Floe would use FitTversky when RefTversky was specified by the user.

  • In the FastROCS Plus Floe parameter documentation, it has been clarified that color optimization is only supported with Tanimoto scoring, and that if RefTversky and FitTversky are selected, the optimization will be done with shape optimization and color scoring.

  • An out-of-memory error has been fixed in the FastROCS Plus Floe that occurred when the maximum number of rescore molecules (100M) was selected.

  • A rare issue has been fixed that caused some molecules to have Hetero Bemis Murcko cores with invalid valances in the FastROCS Plus Floe output.