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Orion - Trusted Science on a Cloud Platform

Orion® is a software cloud platform for all your molecular design and simulation needs, removing the requirement to run and maintain expensive infrastructure hardware.

With Orion, you can access OpenEye computational tools scientists have trusted for more than twenty years, on the cloud.

How Mirati Therapeutics benefits from using Orion cloud based molecular modeling platform

Orion® frees you to explore more by delivering trusted science on a powerful cloud platform. The Orion platform provides all the tools and data needed to allow calculation, analysis, collaboration, and decision-making in one environment.

Orion is Designed to:

  • Run ligand-based or structure-based virtual screenings, molecular dynamics (MD) simulations, free energy predictions, quantum mechanics calculations, sequence analysis, and more from just a web browser
  • Perform ultra-fast 2D and 3D search on billions of molecules
  • Integrate third-party or in-house tools seamlessly
  • Collaborate with colleagues easily with sharing of data, analysis, and visualization
  • Leverage easy to use pre-built (guided) workflows or create your own
Organize protein structural data and assess protein model quality within Orion’s MacroMolecular Data Service (MMDS).

Orion Helps Scientists Discover Novel Compounds

The results that Beacon has achieved using the Orion Platform have been nothing short of amazing…I would whole-heartedly recommend the Orion Platform to anybody that is trying to do any kind of small molecule virtual screening.
Carleton Sage Vice President of Computational Science, Eurofins Beacon Discovery

The Orion Platform and Science Suites

Orion consists of the base Orion Platform and Orion Science Suites


Orion Science Suites

OpenEye is renowned for its chemical modeling applications and toolkits. All of its science has been through rigorous validations and peer-reviews. Running these trusted solutions on AWS means you can now solve modeling questions that were previously impossible due to compute-time or hardware limitations.

The Orion Science Suites group together complementary functionality into solutions for:

Depending on which Orion Science Suite you chose, you may have access to powerful tools for:

Target Modeling

Sequence analysis and protein dynamics

Lead identification

Shape-based searching and ligand-based docking

Lead Optimization

Fragment replacement and scaffold hopping, solvent effect optimization, affinity calculation with entropy correction, free energy calculation

Antibody Engineering

NGS analysis and selection

Prepared Protein Structures

Screen billions of compounds from commercial vendor databases

Why Orion?

Not only does Orion deliver trusted science, it also provides unparalleled usability, cost controllability, and security.

View results from Floe calculations using interactive 3D visualization, 2D plotting, and an integrated spreadsheet.

Select Publications & Presentations

From those who trust the Orion Platform and Science Suites to run their most sensitive and mission-critical projects.

  1. Virtual Screening in the Cloud: How Big Is Big Enough?, Christoph Grebner, Erik Malmerberg, Andrew Shewmaker, Jose Batista, Anthony Nicholls, and Jens Sadowski. Journal of Chemical Information and Modeling 2020 60 (9), 4274-4282
  2. Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein–Ligand Complexes using ab Initio Calculations., Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Ray Unwalla, Meihua Tu, Alan M. Mathiowetz, and Gregory A. Bakken. Journal of Chemical Information and Modeling 2019 59 (10), 4195-4208.
  3. On-Demand Webinar: Orion® - OpenEye’s cloud-native platform for molecular design., Presented by Matt Geballe, VP, Product.

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