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Future Focused

Improving lives through computational molecular design

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Speed

Scale

Science

Use physics-based design to advance

Biomolecular target exploration
Hit identification, hit-to-lead, and lead optimization
Free energy predictions
Pharmaceutical formulations

Explore Our Solutions

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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

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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

> 12B

3D conformer-expanded compounds from commercial vendors

> 2.2M

searchable protein binding sites

> 100K

docking- and MD-ready protein structures

Resources

Glimpse the Future through News, Events, Webinars and more

Event

miniCUP Basel 2025

miniCUP Basel 2025 will be held on May 8th, 2025 Registration is now open! miniCUP Basel is a one-day, in-person gathering featuring scientific innovation and updates to the Orion® molecular design platform and our applications and toolkits. Please enjoy robust discussion, networking, and the opportunity to try out Orion at a reception following the event.

Event

miniCUP Cambridge 2025

miniCUP Cambridge 2025 will be held on May 6th, 2025 Registration is now open! miniCUP Cambridge is a one-day, in-person gathering featuring scientific innovation and updates to the Orion® molecular design platform and our applications and toolkits. Please enjoy robust discussion, networking, and the opportunity to try out Orion at a reception following the event.

News

Cadence Announces New Life Sciences Leadership

News

Expanding Orion’s Capabilities with AI

Webinar

miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening

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Accelerate your Science with OpenEye

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