Orion® delivers the OpenEye computational tools scientists have trusted for more than twenty years in an integrated web 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.
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 of more than 5 billion stereoenumerated commercially available molecules and 40 billion conformers
Integrate third-party or in-house tools
Collaborate with colleagues without file transfers and formatting
Leverage pre-built workflows or customize 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 SageVice 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:
As an open compute platform using Python, you also can create a custom suite with your preferred OpenEye solutions or in-house or third-party solutions.
Not only does Orion deliver trusted science, it also provides unparalleled usability, cost controllability, and security.
Blazing fast virtual screening.Gigadock™ (3D docking) and FastROCS™ (3D shape searching) in Orion set the industry standard for ultra-large scale screening calculations. Get your projects completed in less time with Orion; dock and search billions of compounds in less than a day. Science at an unprecedented scale and speed, is now at your fingertips.
Billions of searchable molecules (ligands). Orion includes more than 5 billion stereoenumerated small molecules from commercial vendors including Enamine, WuXi, and Mcule. No more hassle of having to prepare commercial databases for your searches. These molecular databases are prepared and ready for your 2D and 3D searches, in a unified setting.
Prepared, ready-to-use, and curated protein crystal structures. Access to more than 38,000 models of protein crystal structures across different target families. These protein models have been carefully curated and assessed based on the quality of their crystallographic data. The models are grouped by family, aligned, and prepared for your docking and visualization needs. With Orion, you can readily compare your small molecule ligands against these target proteins.
Ready-to-use Floes and Cubes. With more than a hundred ready-to-use Orion Floes and Cubes, Orion covers many of your modeling needs. Easily modify and build Floes and Cubes from the Orion user interface or use Python. OpenEye continues to add innovative, robust, and validated science to the workflows.
Ease of use. OpenEye Scientific applications and toolkits are available as turnkey solutions, as well as fully customizable Floes and Cubes in Orion.
Real-time collaboration. The Orion integrated platform allows you to calculate, visualize and analyze data, and collaborate instantaneously with your team members. No more dealing with file transfers and data formatting between applications.
Fast and easy implementation. Orion can be accessed anywhere using a web browser. With no specialized hardware or servers necessary, it is easy to get Orion up and running quickly.
Integrate your in-house and third-party tools. Orion’s open platform concept and use of Python allows for straightforward integration of vendor applications or your in-house tools.
Cost monitoring. With Orion, you can monitor your compute cost in real-time, down to the seconds and by the cents. You also can set cost thresholds and Orion will notify you before you hit the limit. Both features allow you to easily monitor budgets by projects.
Cost scheduler. You have the choice in Orion to schedule your calculations to run immediately on AWS on-demand instances or to run flexibly on the less-expensive AWS spot instances, saving you hundreds or thousands of dollars per calculations.
Cost optimization. Orion’s proprietary design searches for the best GPU, CPU, or GPU/CPU combinations to maximize your computational return on cost. Orion frees you to focus on your science instead of hardware.
Pay-per-use. Orion customers have found significant cost savings using the Orion cloud platform rather than maintaining their local hardware infrastructure (investment, maintenance, scalability, etc.).
Industry gold standard. Orion uses Amazon Virtual Private Cloud and S3 Cloud Storage, which is the industry gold standard for security. Your data always is secure, in-transit and in-storage.
Controlled access. In Orion, you fully control who has access to your data on a user or project level.
Vigilant monitoring. The OpenEye cloud team monitors your Orion infrastructure security 24/7.
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.