Name

OpenEye Scientific

Legal name

OpenEye Scientific

Website

https://eyesopen.com

Company type

Private

Founded year

1997

Operating status

Operating

Headcount range

101–250 employees

Ownership category

akta.pro rank

Product category

Molecular Modeling and Drug Discovery Software

NAICS

Software Publishers (5132), Scientific Research and Development Services (5417), Computer Systems Design and Related Services (5415)

SIC

Services-Commercial Physical & Biological Research (8731), Services-Computer Programming Services (7371)

akta.pro primary industry

AI/ML Platforms for Drug Discovery & Experiment Optimization (HLAGAJAO)

akta.pro secondary industries

Bioinformatics & Multi-omics Analysis Software (HLAGAJAD), AI/ML-Enabled Biologic Discovery Platforms (computational design, in silico screening) (HLAAAIAE)

Keywords

• Molecular modeling software
• Drug discovery platform
• Virtual screening tools
• Cheminformatics toolkits
• Computational chemistry software

Headquarters

HQ city

Santa Fe

HQ country

United States

HQ region

North America

Offices1 record

Markets served

GTM type

B2B

Offering type

Software

Cost components

Technology or R&D, Personnel, Infrastructure, Operations, Marketing or Sales

Revenue model

1. Software Licenses and Subscriptions: Enterprise software licensing model for OpenEye applications and toolkits. Orion cloud platform accessible via subscription with compute unit consumption. Academic licensing available for research institutions at reduced rates.
2. Cloud Computing Services (Cadence OnCloud): GPU resources specifically optimized for molecular modeling, virtual screening, and computational chemistry on Cadence OnCloud infrastructure-as-a-service.

Go-to-market motion1 record

Distribution channels4 records

Marketing channels9 records

Core offering

OpenEye Scientific develops and sells cloud-native molecular design and cheminformatics software used for drug discovery, structure- and ligand-based virtual screening, and lead optimization. Its flagship Orion platform runs on AWS and combines physics-based computational methods with AI/ML to screen billions to trillions of compounds, supported by downloadable toolkits, curated protein databases, and GPU infrastructure services. The company now operates as OpenEye, Cadence Molecular Sciences following its 2024 acquisition by Cadence Design Systems.

Product overview

OpenEye Scientific, now part of Cadence Molecular Sciences, offers a cloud-native molecular design platform called Orion with bundled science suites and downloadable toolkits. The core Orion platform provides integrated access to specialized applications including ROCS X (AI-accelerated shape-based screening), Target X (pocket detection), Gigadock (3D docking), FastROCS (GPU-accelerated similarity search), and SiteHopper (binding site comparison), all powered by curated databases (100K+ protein structures) and Cadence OnCloud GPU infrastructure. Toolkits including OEChem TK, OMEGA, OEDocking, Quacpac TK, MolProp TK, and SZMAP provide programmatic access to underlying science for custom workflow development. The Small Molecule Discovery Suite, Antibody Discovery Suite, and Formulations Suite bundle these capabilities into turnkey workflows for specific drug discovery stages.

Differentiator

Problem solved

Functional benefit

Brands

• Orion® Molecular Design Platform: Cloud-native molecular design platform providing integrated environment for molecular modeling, virtual screening, and drug discovery applications
• Gigadock™
• Gigadock™ Warp
• FastROCS™
• ROCS®
• MacroMolecular Data Service (MMDS)
• SiteHopper
• Large Scale Virtual Screening (LSVS)

Products and services

• Orion Molecular Design Platform Cloud-native molecular design platform built on AWS that provides a single integrated environment for molecular modeling, virtual screening, and drug discovery applications with GPU acceleration and real-time collaboration capabilities; serves pharma, biotech, academic, agrochemical, and flavors & fragrances customers.
• Small Molecule Discovery Suite Turnkey Orion application suite for ligand-based and structure-based virtual screening, pose-testing, analysis, and molecular dynamics simulations aimed at small molecule drug discovery teams.
• Antibody Discovery Suite Comprehensive Orion suite for antibody discovery, including the AbXtract application for UMI-based error correction in NGS antibody sequence analysis, targeted at therapeutic antibody discovery teams.
• ROCS X AI-accelerated ligand-based 3D shape and color similarity search application on Orion that enables ultra-large-scale virtual screening at trillion-plus molecule scale for drug discovery researchers.
• Target X Orion application for cryptic pocket detection and target exploration that identifies hidden binding sites on protein surfaces, enabling drug discovery against previously undruggable targets.
• Gigadock
• Gigadock Warp
• FastROCS
• MacroMolecular Data Service (MMDS)
• SiteHopper
• SZYBKI / FreeForm
• OMEGA
• OEDocking
• OEChem TK
• Quacpac TK
• MolProp TK
• MedChem TK
• Bioisostere TK
• SZMAP & GamePlan
• Cadence OnCloud
• Cheminformatics & Modeling Toolkits

Quantifiable outcome

• 2D similarity search on billions of ligands in Seconds; 3D similarity search on billions of ligands in Minutes; dock billions or search trillions of ligands in Hours
• +3 more outcomes

Named customers9 records

Segments4 records

Ideal customer profiles3 records

Technology focussed Yes

API detail

Has API

No

API docs

API detail

Core technology

AI maturity

App detail

Integration11 records

AI capability7 records

Feature10 records

Partnerships

Nine partnerships are on record, tiered core, major and minor.

• Cadence Design SystemscoreOthersOpenEye Scientific was acquired by Cadence Design Systems and operates as Cadence Molecular Sciences. This acquisition positions OpenEye's molecular modeling capabilities within Cadence's broader computational design strategy beyond core EDA into multi-physics simulation and molecular science applications.
• Amazon Web Services (AWS)coreTechnology or IntegrationAWS serves as the cloud infrastructure provider for the Orion platform. OpenEye was one of the first scientific computing companies to attain AWS High Performance Computing (HPC) partner designation. Orion's cloud-native architecture runs on AWS with proprietary scheduler optimization for cost-efficient scaling.
• EnaminemajorTechnology or IntegrationEnamine provides commercial compound library access through Orion's Ready-for-Search database collection. The Enamine REAL database (2.5B+ compounds) enables ultra-large scale virtual screening on the Orion platform.
• mculemajorTechnology or Integrationmcule provides commercial compound library access integrated into Orion's Ready-for-Search database collection for virtual screening campaigns.
• MolPortmajorTechnology or IntegrationMolPort provides commercial compound library access integrated into Orion's Ready-for-Search database collection for virtual screening campaigns.
• SpecificaminorStrategic or Co-development PartnerSpecifica presented AbXtract antibody sequencing analysis tools within OpenEye's Orion Antibody Discovery Suite. Collaboration enables UMI-based error correction in antibody sequence analysis to preserve full diversity of campaign leads.
• UCSF (University of California, San Francisco)minorStrategic or Co-development PartnerUCSF collaborated with Relay Therapeutics to develop FrankenROCS pipeline using OpenEye's FastROCS for SARS-CoV-2 macrodomain inhibitor discovery, demonstrating successful academic-industry collaboration.
• Relay TherapeuticsminorStrategic or Co-development PartnerRelay Therapeutics collaborated with UCSF to develop FrankenROCS pipeline using OpenEye's FastROCS for SARS-CoV-2 macrodomain inhibitor discovery, demonstrating successful integration of OpenEye tools in biotech drug discovery.
• Eurofins Beacon DiscoverymajorStrategic or Co-development PartnerEurofins Beacon Discovery is a key customer and collaborator using Orion platform tools including Gigadock and FastROCS for GPCR drug discovery. Their CEO provided testimonial praising the Orion Platform for virtual screening.

Scale indicators10 records

Recent moves6 records

Expansion highlights6 records

Direct peers

• Schrödinger: Publicly-traded leader in physics-based computational drug discovery with LiveDesign platform and a similar mix of molecular modeling, virtual screening, and AI/ML methods. Direct overlap with OpenEye on tier-1 pharma licensing and on cloud-native workflows.
• Chemical Computing Group (CCG / Molecular Operating Environment): Developer of MOE (Molecular Operating Environment), one of the longest-established small-molecule discovery suites in pharma. Direct competitor across structure-based design, docking, and cheminformatics toolkits, and the historical incumbent OpenEye has displaced at several accounts.
• Cresset: UK-based computational chemistry vendor behind Flare, Spark, and torchlight. Comparable niche specialist in ligand-based design, electrostatics, and 3D SAR — directly competitive with OpenEye's shape and color science approach.
• Simulations Plus: Public computational chemistry and PBPK modeling vendor (GastroPlus, ADMETPredictor). Overlaps with OpenEye on physicochemical/ADME property prediction and small-molecule modeling, and competes in the same pharma preclinical informatics budgets.
• Molecular Discovery: Developer of VolSurf+, Pentacle, and MetaSite molecular modeling packages. A European niche vendor of cheminformatics and ADME-relevant descriptors, comparable in scale and specialization to OpenEye.

Broad incumbents

• BIOVIA (Dassault Systèmes): Dassault's life sciences software arm offers BIOVIA Discovery Studio and the broader 3DEXPERIENCE platform covering discovery, clinical, and manufacturing. Broad incumbent with overlapping molecular modeling and scientific informatics, usually sold as part of multi-product enterprise bundles.
• Certara: Public biosimulation and PBPK modeling platform (Phoenix, Simcyp) serving pharma regulatory and clinical pharmacometrics. Adjacent rather than identical, with overlapping predictive-science customers and a much larger regulatory-software footprint.

Emerging players

• Insilico Medicine: AI-driven drug discovery platform combining generative chemistry (Chemistry42) with target discovery and clinical development. Competes at the intersection of AI/ML and drug discovery where OpenEye's Gigadock Warp and ROCS X are also positioned.
• Atomwise: AI-first small-molecule discovery company with AtomNet and a pipeline of pre-clinical assets, often working in ultra-large virtual screening partnerships with large pharma. Direct overlap with the trillion-scale screening pitch that OpenEye markets to the same pharmaceutical buyers.
• XtalPi: AI-driven drug discovery company combining computational chemistry with large-scale robotic synthesis. Listed by OpenEye as a Ready-for-Search commercial-library partner, and a competitor to Orion on AI-augmented virtual screening at scale.

Market position

Strengths5 records

Weaknesses5 records

Competitive moat6 records

Key risks6 records

Key highlights7 records

Customer concentration

• Xx.com/openeyesoftware
• YouTubeyoutube.com/channel/UCO4DT3jFniwXYya9kZA-blQ
• LinkedInlinkedin.com/company/52821
• Facebookfacebook.com/openeyescientificsoftware

Revenue estimate

Valuation estimate

Number of profiles

Profiles12 records

Funding overview

Funding rounds

Investors

Funding detail is available on the Subscription and Enterprise plan.Contact sales →

M&A

Investments

M&A and investment is available on the Subscription and Enterprise plan.Contact sales →

Frequently asked questions about OpenEye Scientific