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Large Scale Virtual Screening
No matter the size of the space you want to search, OpenEye has a fast and cost-effective virtual screening option for you. Delivering 2D and 3D virtual screening solutions at the scale you need, the speed you want, and the computing cost you desire.
![Molecular model.](https://www.eyesopen.com/hs-fs/hubfs/mjtw-assets/images/inner-card-image-452x402/2IKO-receptor.png?width=1120&height=908&name=2IKO-receptor.png)
Trusted Science.
2D Ligand-Based
Screening by 2D structure and/or fingerprint (GraphSim TK)
3D Ligand-Based
Search billions of molecules in minutes. Extremely fast screening by shape and chemical-features similarity (ROCS®, FastROCS™, FastROCS™ Plus)
3D Structure-Based
Dock billions of molecules with Gigadock™, for the most rigorous results, and with Gigadock Warp, when speed and affordability matters (Gigadock, Gigadock Warp)
Combined 3D Ligand- and Structure-Based
Ready-to-use workflows that combine the best of 3D ligand- and structure-based methods (FastROCS Plus, Gigadock Warp)
Property Calculation and Filter
Calculate molecular properties and filter out undesirables (FILTER)
Ready-for-Search Compound Libraries
Single point access to more than 12 billion stereoenumerated molecules from reputable commercial vendors and public databases, ready for search (Orion® Compound Library Collection)
Delivered the Way You Need.
RESOURCES