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Orion - Science on a Cloud Platform

Orion® is a cloud platform for all your molecular design and simulation needs, eliminating the need to buy and maintain expensive infrastructure. No software to install, you just need a web browser. Simply log in and go!

Access OpenEye's industry leading 2D and 3D computational tools and innovative science, on the cloud.

How Mirati Therapeutics benefits from using Orion

Orion frees you to explore further and faster by delivering trusted science through a powerful, highly scalable cloud platform. Orion provides everything you need to calculate and make predictions, analyze results, share your conclusions and make decisions, all through a single web browser interface.

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


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

Target Modeling

Crystal ligand refinement, binding site comparison, and protein dynamics. Learn more.


Shape-based searching and ligand-based docking. Learn more.

Lead Optimization

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

Antibody Modeling

NGS and Sanger analysis and selection. 3D structural modeling. Calculate biophysical properties. Learn more.

Commercially Available Compounds

Screen billions of compounds from commercial vendor databases. Learn more.

Prepared Protein Structures

Access >100,000  pharmaceutically relevant protein structures, representing over 16,000 targets, from the Protein Data Bank (PDB) and AlphaFold. Learn more. 

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. Orion ® A Cloud-Native Molecular Design Platform, Jesper Sørensen,  Caitlin C. Bannan,  Gaetano Calabrò,  Varsha Jain,  Grigory Ovanesyan,  Addison Smith,  She Zhang,  Christopher I. Bayly,  Tom A. Darden,  Matthew T. Geballe,  David N. LeBard,  Mark McGann,  Joseph B. Moon,  Hari S. Muddana,  Andrew Shewmaker,  Jharrod LaFon,  Robert W. Tolbert,  A. Geoffrey Skillman,  Anthony Nicholls. First published: 19 January 2024
  2. 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
  3. 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.
  4. On-Demand Webinar: Orion® - OpenEye’s cloud-native platform for molecular design., Presented by Matt Geballe, VP, Product.

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