Trusted Science. Delivered the Way You Need.

Available Databases

OpenEye offers highly curated and prepared databases of targets and ligands designed to expedite your modeling needs.

Ready-to-use, highly curated target and ligand databases for all your modeling needs.

Trusted Science.

Ready-for-Search Compound Libraries

Single point access to more than 24 billion stereoenumerated molecules from reputable commercial vendors and public databases, ready for search (Orion Compound Library Collection)

Prepared Protein Structures

Access more than 100,000 pharmaceutically relevant protein structures from the Protein Data Bank (PDB) and AlphaFold, covering more than 16,000 targets; classified by functions, annotated for model quality, and readily prepared for your modeling needs (Orion MacroMolecular Data Service)

Compare Protein Binding Sites

Rapidly compare your query protein binding site against over 200K known and over 2 million putative protein binding sites for off-target effects or structure-activity relationship transfer (SiteHopper)

Protein-Ligand Database

Carefully curated and validated set of highly reliable protein-ligand structures (Iridium Database)

Delivered the Way You Need.

Orion® Web Based Cloud Platform

All you need is a web browser. No hassle with hardware maintenance or data backups. Convenient access to on-demand compute resource. Very flexible.

Desktop and Linux Applications

When you prefer software applications on your local hardware. We support Linux, Windows, or macOS-based systems. Your choice.

Development Toolkits

Creating your own modeling and cheminformatics custom solutions and services was never easier. Get creative.

Consulting Services

Leverage our scientific team’s expertise with many decades of experience in pharmaceutical research. Let us solve your most challenging therapeutic discovery needs. Together.