
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
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
Over 800x Speed-Up on Orion to Enable Rapid and Reliable Drug Design
Expanding Orion’s Capabilities with AI
miniWebinar | Shape and color: A unifying principle for modeling molecules
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Over 800x Speed-Up on Orion to Enable Rapid and Reliable Drug Design
Expanding Orion’s Capabilities with AI
miniWebinar | Shape and color: A unifying principle for modeling molecules
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Resources
Glimpse the Future through News, Events, Webinars and more
Webinar
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
In our first miniWEBINAR of 2025 we were talking about a computational workflow to validate difficult-to-drug protein targets in "Opening up the druggable universe one cryptic pocket at a time" session presented by David LeBard, Head of Enhanced Sampling at OpenEye, Cadence Molecular Sciences,
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News
Over 800x Speed-Up on Orion to Enable Rapid and Reliable Drug Design
Treeline Accelerates Discovery of Novel Therapeutics with Cadence’s Orion® on Millennium™ M2000 Supercomputer Over 800x speed-up on dedicated platform enables rapid, reliable drug design Cadence Molecular Sciences (OpenEye)—a business unit of Cadence (Nasdaq: CDNS)–is excited to announce the Orion® Molecular Design Platform is now available on the Cadence® Millennium™ M2000 Supercomputer in Cadence OnCloud, a state-of-the-art solution offering a tightly co-optimized software and hardware stack, that ensures drug discovery jobs run reliably and at scale.
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