Small Molecule Discovery Suite Release Notes, 2023.1.1

Version 2023.1 provides improvements to the following packages of floes. The other packages are identical with those shipped in version 2022.4.2.

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

• Biomolecular Modeling
• Cheminformatics
• Classic Floes
• Cryptic Pocket Detection (new package)
• 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
• Reagent Enumeration
• Snowball - The Primary OpenEye Cube Library