Announcing the Release of 2026.2 Orion Small Molecule Discovery Suite
At OpenEye, Cadence Molecular Sciences, our focus is delivering industry-leading science, speed, and scale for molecular design to the global scientific community.
The Orion Platform and Science Suites give scientists web-based access to advanced scientific computing and modeling, anytime, anywhere. We deliver state-of-the-art methods, massive throughput, and the cloud scalability required to tackle your most challenging drug discovery projects.
The Orion Small Molecule Discovery Suite (version 2026.2) includes:
- Perform generative design: You can now use Brood for complete de novo design, as well as linking and cyclization. Fragments are automatically identified and replaced. Alternatively, connection points can be selected to design linkers for cyclization or fragment joining. This query replacement allows you explore far more of the chemical space in a single calculation, uncovering novel molecules with generative design using OpenEye's trusted 3D science.
- Search trillions with greater flexibility: ROCS X now supports single and mixed queries. You can mix-and-match molecule, shape, and pocket queries as inputs in the same search. Custom color force fields for tailored electrostatic matching are also fully supported now. On-the-fly filtering, including 2D similarity and substructure matching, reduces noise so you can focus on the most promising hits for your project.
- Prepare database collections faster: The preparation of large-scale collections is now 2–3X faster with the integration of a Bayesian bandit approach using Thompson sampling support in all OMEGA modes. By default, only FastROCS collections are generated; there is still an option to create Gigadock collections. Together, these changes make the preparation of large database collections significantly more efficient.
- And much more…
For more details, please refer to the Orion Suites and Modules Release Highlights.
Need technical support or have questions? Our dedicated Support Team is fully committed to your success. If you need assistance accessing or integrating these new features into your current workflows, please reach out to us at support@eyesopen.com.