Release Notes

v0.2.0 December 2025

This package is built using OpenEye-orionplatform==6.5.0, OpenEye-toolkits==2024.2.1, and OpenEye-Snowball==0.29.2.

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.

This package is built using OpenEye-orionplatform==6.0.0, OpenEye-toolkits==2023.2.3, and OpenEye-Snowball==0.27.1.

The Protein Sequence to AI Folded Structure Prediction Floe has been updated to run minimization and can optionally run pocket finding on the generated structure.

This is the first release of the OpenEye AI Fold Floes.
This package is built using OpenEye-orionplatform==6.0.0, OpenEye-toolkits==2023.2.3, and OpenEye-Snowball==0.27.0.

This package contains the following Floe, whose purpose is to generate 3D protein structures from only a sequence input.

Protein Sequence to AI Folded Structure Prediction: A protein sequence is used as an input for AI folding methods to predict protein structure. Currently, OmegaFold is the supported AI model to fold proteins.