Small Molecule Discovery Suite Release Notes, 2022.4.2

Version 2022.4.2 provides improvements to the following packages of floes. The other packages are identical with those shipped in version 2022.4.1.

• Format Conversion (ETL Floes)

• Machine Learning Model Building Floes

• Molecular Dynamics Affinity Package

• Molecular Dynamics Core Package

For details, see the release notes for the individual packages.

• Biomolecular Modeling
• Cheminformatics
• Classic Floes
• Format Conversion
• Generative Chemistry
• Large Scale Floes
• Machine Learning Model Building Floes
• Molecular Dynamics Affinity Package
• Molecular Dynamics Core Package
• Permeability Floes
• Quantum Mechanics Psi4 Floes
• Snowball - The Primary OpenEye Cube Library