Small Molecule Discovery Suite Release Notes, 2022.3.1

Version 2022.3.1 is a minor release with changes only to selected packages:

• Biomolecular Modeling.

• Cheminformatics.

• Classic Floes.

• Generative Chemistry.

• Large Scale Floes.

• Machine Learning Model Building.

• Molecular Dynamics Affinity Package.

• Molecular Dynamics Core Package.

• Permeability Floes.

• Snowball.

For details, see the release notes for those packages. Other packages are identical with the previous release.

• Biomolecular Modeling
• Cheminformatics
• Classic Floes
• Format Conversion (not changed)
• Generative Chemistry
• Large Scale Floes
• Machine Learning Model Building Floes
• Molecular Dynamics Affinity Package
• Molecular Dynamics Core Package
• Permeability Floes
• Quantum Mechanics Psi4 Floes (not changed)
• Reagent Enumeration (not changed)
• Snowball - The Primary OpenEye Cube Library