Small Molecule Discovery Suite Release Notes, 2022.3.1ΒΆ
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.
Macromolecular Data Service Floes.
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
- Macromolecular Data Service 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