AI Fold Floes Release Notes
v0.2.0 December 2025
General Notice
This package is built using
OpenEye-orionplatform==6.5.0,OpenEye-toolkits==2024.2.1, andOpenEye-Snowball==0.29.2.
Floe Updates
The Protein Sequence to AI Folded Structure Prediction Floe has been updated to run using the Boltz model. An optional MSA search prior to structure prediction has been added.
The Protein Sequence to AI Folded Structure Ligand Affinities Floe has been added, which takes an ensemble of input ligands that will be individually co-folded with the input sequences. Ligands with a higher affinity values will be ranked higher.
The MSA Align and Search Floe has been added, which runs an MMSeqs2 MSA search on input sequences.
The MSA Collection Setup from FASTA Floe has been added, which creates a FASTA collection that can be used with floes that perform an MSA search.