Science
Use physics-based design to advance:
- Biomolecular target exploration
- Hit identification, hit-to-lead, and lead optimization
- Free energy predictions
- Pharmaceutical formulations
Speed
Break the speed barrier searching billions of available molecules
- Ligand- and structure-based virtual screening
- Molecular dynamics (MD) simulations
- Affinity predictions
- Quantum chemistry calculations
2D similarity search on billions of ligands in
Seconds
3D similarity search on billions of ligands in
Minutes
Dock billions of ligands in
Hours
Scale
Accelerate science to the speed of now
- Screen ultra-large scale compound databases
- Perform long timescale MD simulations on large systems
- Improve impact using rigorous theory & efficient algorithms
- Design & screen antibody libraries using NGS
ROCS X: AI-Enabled Molecular Search Unlocks Trillions
Webinar: OpenEye's Free energy prediction for drug discovery: Ideas at breakfast, discoveries by lunch
Science Brief: Binding Free Energy Redefined: Accurate, Fast, Affordable
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Conversations at CUP: Geoff Skillman & Charlotte Deane
Webinar: OpenEye's Free energy prediction for drug discovery: Ideas at breakfast, discoveries by lunch
Science Brief: Binding Free Energy Redefined: Accurate, Fast, Affordable
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Conversations at CUP: Geoff Skillman & Charlotte Deane
Resources
Glimpse the Future through News, Events, Webinars and more
News
ROCS X: AI-Enabled Molecular Search Unlocks Trillions
BOSTON, OpenEye miniCUP—Sept. 25, 2025—Cadence Molecular Sciences (OpenEye), a business unit of Cadence (Nasdaq: CDNS), announced today at miniCUP Boston, the launch of ROCS X, an AI-enabled virtual screening solution that allows scientists to conduct 3D searches of trillions of drug-like molecules.
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Upcoming Webinar
Webinar: OpenEye's Free energy prediction for drug discovery: Ideas at breakfast, discoveries by lunch
Webinar: OpenEye's Free energy prediction for drug discovery: Ideas at breakfast, discoveries by lunch We are continuing our 2025 miniWEBINAR series with our November session led by Chris Neale, Ph.D., who leads the molecular binding affinity solution group at OpenEye, Cadence Molecular Sciences. His expertise and interests include method development for structure-based drug design, cellular signal transduction, and uncertainty quantification. Chris is also an editorial board member at the Biophysical Journal.
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