D. E. Shaw Research
D. E. Shaw Research is a private New York-based computational biochemistry company that builds special-purpose Anton supercomputers for molecular dynamics simulations and applies them, alongside machine learning, to drug discovery. It runs an independent clinical-stage pipeline (DES-9384, DES-7987) and collaborates with Relay Therapeutics on additional clinical candidates.
- Company typePrivate
- Founded2002
- HeadquartersNew York, United States
- Headcount101–250
- GTM typeB2B
- OfferingServices
What D. E. Shaw Research does
D. E. Shaw Research is a privately held scientific research and drug discovery company headquartered in New York, founded in 2002 as part of the broader D. E. Shaw group. The company develops special-purpose supercomputers and computational methods to understand pharmaceutically significant biomolecules at atomic resolution and to design precisely targeted therapeutics. Its core technology platform centers on the Anton family of supercomputers (three generations developed in-house, with Anton 3 the latest), purpose-built ASIC-class hardware that executes molecular dynamics simulations roughly 100 times faster than general-purpose supercomputers, enabling observation of millisecond-scale biological phenomena previously inaccessible to simulation. The platform is complemented by the Desmond MD simulation software package, made available at no cost to academic institutions, and by machine learning methods applied both independently and as integrated elements of Anton-enabled workflows, including neural networks trained on Anton-generated trajectory data.
The business operates two parallel drug discovery programs. The independent program has produced two clinical-stage candidates (DES-9384 targeting TRPA1 for neuropathic pain and chronic cough, and DES-7987 targeting KCa3.1 for asthma and lung fibrosis). The collaborative program, anchored by a 2016 multi-target alliance with Relay Therapeutics (a D. E. Shaw Research co-founded company), has generated four additional clinical-stage candidates, including RLY-4008 (an FGFR2 inhibitor licensed to Elevar Therapeutics in 2024 for cholangiocarcinoma and other solid tumors) and RLY-2608 (a mutant-selective allosteric PI3Kα inhibitor for breast cancer and vascular malformations). Revenue mechanics center on licensing, royalty, and collaborative development arrangements with pharmaceutical and biotech partners, supplemented by free academic access programs that build the research ecosystem and talent pipeline.
The company sells primarily through direct enterprise engagement with pharmaceutical and biotechnology companies seeking computational drug discovery partnerships, with no traditional consumer channel. Headcount sits in the 101-250 range, and the firm is founder-controlled under David E. Shaw as Chief Scientist, operating without external venture capital, private equity, or institutional investment. Compensation disclosure (with senior AI/ML research roles ranging $350K-$1M) suggests a top-quartile technical talent base, and the firm's research output is anchored by publications in Science, Nature, and PNAS, two Gordon Bell Prizes (2009, 2014), and a 2010 Science "Breakthrough of the Year" recognition.
D. E. Shaw Research firmographics
Firmographics- Name
- D. E. Shaw Research
- Legal name
- D. E. Shaw Research, LLC
- Website
- https://deshawresearch.com
- Company type
- Private
- Founded year
- 2002
- Operating status
- Operating
- Headcount range
- 101–250 employees
- Short description
- D. E. Shaw Research is a private New York-based computational biochemistry company that builds special-purpose Anton supercomputers for molecular dynamics simulations and applies them, alongside machine learning, to drug discovery. It runs an independent clinical-stage pipeline (DES-9384, DES-7987) and collaborates with Relay Therapeutics on additional clinical candidates.
- Ownership category
- akta.pro rank
D. E. Shaw Research industry classification
Industry- Product category
- Computational Drug Discovery
- NAICS
- Research and Development in Biotechnology (except Nanobiotechnology) (541714), Scientific Research and Development Services (5417), Research and Development in the Physical, Engineering, and Life Sciences (54171)
- SIC
- Services-Commercial Physical & Biological Research (8731), Laboratory Analytical Instruments (3826)
- akta.pro primary industry
- AI/ML-Enabled Biologic Discovery Platforms (computational design, in silico screening) (HLAAAIAE)
- akta.pro secondary industries
- AI/ML Platforms for Drug Discovery & Experiment Optimization (HLAGAJAO), Cheminformatics & Molecular Modeling / CADD (HLAGAJAE), Drug Discovery (Target ID/Validation & Hit Discovery) (HLAIALAA)
Keywords
Where D. E. Shaw Research is headquartered
LocationHeadquarters
- HQ city
- New York
- HQ country
- United States
- HQ region
- North America
Offices1 record
Markets served
D. E. Shaw Research business model
Business model- GTM type
- B2B
- Offering type
- Services
- Cost components
- Personnel, Technology or R&D, Infrastructure, Operations
Revenue model
- Drug Discovery Collaborations: The company conducts drug discovery programs both independently and in collaboration with other biopharmaceutical companies and research laboratories. Revenue is generated through licensing agreements and collaborative development arrangements, such as the multi-target collaboration with Relay Therapeutics.
- Independent Drug Development: Development of proprietary drug candidates through clinical trials, with three independently designed drugs (DES-9384, DES-7987) having reached clinical stage. Potential future revenue through drug approval and commercialization.
- Technology Access (Anton): Anton supercomputer access provided without cost for non-commercial research use by U.S. universities and not-for-profit institutions. Desmond software available at no cost for academic institutions. This supports research ecosystem and potential future collaborations.
Pricing tiers
| Model | Billing | Price |
|---|---|---|
| Other | Monthly | Summer Internship Program |
| Other | Annual | Data Associate Position |
| Other | Annual | LLM Researcher and Engineer Position |
| Other | Annual | Machine Learning Researcher and Engineer Position |
| Other | Annual | Scientific Software Developer Position |
| Other | Annual | Information Security Engineer, Agentic AI Position |
| Other | Annual | Systems Engineer Position |
Go-to-market motion2 records
Distribution channels3 records
Marketing channels4 records
D. E. Shaw Research product offering
Product offeringCore offering
D. E. Shaw Research develops special-purpose Anton supercomputers and novel computational methods to perform ultra-high-resolution molecular dynamics simulations of biological molecules. It applies these technologies, combined with machine learning, to elucidate molecular mechanisms of disease, identify therapeutic targets, and design precisely targeted drug candidates, including seven clinical-stage drugs (three developed independently and four in collaboration with Relay Therapeutics).
Product overview
D. E. Shaw Research offers a technology platform centered on Anton, a special-purpose supercomputer for ultra-high-resolution molecular dynamics simulations, supplemented by the Desmond MD simulation software package available to academic institutions. Their drug discovery services use Anton-based simulations, machine learning methods, and advanced computational technologies to elucidate molecular mechanisms, identify pharmaceutical intervention strategies, and design novel therapeutics. The company has brought seven clinical-stage drugs into trials, including three independently developed candidates (DES-9384 targeting TRPA1, DES-7987 targeting KCa3.1) and four developed in collaboration with Relay Therapeutics.
Differentiator
Problem solved
Functional benefit
Products and services
- Anton Supercomputer System Special-purpose supercomputer for molecular dynamics simulation, executing biological MD simulations approximately 100 times faster than general-purpose supercomputers; offered without cost for non-commercial research use to U.S. universities and not-for-profit institutions.
- Desmond MD Simulation Software Molecular dynamics simulation software package that runs on commodity GPUs, available at no cost for academic and not-for-profit research use.
- Anton-based Drug Discovery Programs Computational drug design service combining Anton-based MD simulations with experimental validation, encompassing elucidation of molecular mechanisms, identification of intervention strategies, and creation of precisely targeted therapeutics; delivered through licensing and collaborative development arrangements.
- DES-9384 Clinical-Stage Drug Candidate Clinical-stage drug candidate independently developed by D. E. Shaw Research that inhibits TRPA1, a protein involved in diabetic peripheral neuropathic pain, chronic lower back pain, and chronic cough.
- DES-7987 Clinical-Stage Drug Candidate Clinical-stage drug candidate independently developed by D. E. Shaw Research that inhibits KCa3.1, a protein implicated in asthma, ischemic stroke, and lung fibrosis.
Quantifiable outcome
- 100x faster molecular dynamics simulations compared to general-purpose supercomputers
- +3 more outcomes
Companies that use D. E. Shaw Research
Customer profileNamed customers2 records
Segments3 records
Ideal customer profiles3 records
D. E. Shaw Research technology and API
TechnologyTechnology focussed Yes
API detail
- Has API
- No
- API docs
- API detail
Core technology
AI maturity
App detail
AI capability10 records
Feature5 records
D. E. Shaw Research partnerships and signals
Strategic signalPartnerships
Two partnerships are on record, tiered minor and core.
- Elevar TherapeuticsminorElevar Therapeutics received a license from Relay Therapeutics for RLY-4008, a FGFR2 inhibitor originally discovered through the D. E. Shaw Research - Relay Therapeutics collaboration. RLY-4008 is being developed as a potential therapy for cholangiocarcinoma and other solid tumors.
- Relay TherapeuticscoreD. E. Shaw Research co-founded Relay Therapeutics and maintains a multi-target collaboration and licensing agreement. Four clinical-stage drugs (including RLY-4008 and RLY-2608) were discovered under this collaboration. RLY-4008 targets FGFR2 receptor tyrosine kinase and was licensed by Relay to Elevar Therapeutics in 2024 as potential therapy for cholangiocarcinoma and other solid tumors. RLY-2608 is a first-in-class mutant-selective allosteric PI3Kalpha inhibitor being studied for breast cancer, solid tumors, and vascular malformations.
Scale indicators4 records
Recent moves6 records
Expansion highlights5 records
D. E. Shaw Research competitors and assessment
Company assessmentDirect peers
- Schrödinger, Inc. Public computational chemistry and materials science platform combining physics-based simulation with ML for drug and materials discovery; directly competes with D. E. Shaw Research for pharma computational discovery partnerships.
- Isomorphic Labs: Alphabet-backed drug discovery company built on AlphaFold and DeepMind AI foundations; pursues AI-first drug design at scale with significantly larger capital, making it a peer for AI-enabled molecular design partnerships.
- Relay Therapeutics: Clinical-stage precision medicine company co-founded by D. E. Shaw Research using its motion-based drug design platform; closest comparable in motion-based computational drug discovery and a strategic commercialization vehicle for DESRES-discovered assets.
- Insitro: Machine-learning driven drug discovery company combining induced pluripotent stem cell biology with ML models; competes for ML-enabled drug discovery talent and pharma collaboration deals.
- Recursion Pharmaceuticals: AI-driven biotech combining high-throughput wet-lab experimentation with ML to discover and develop therapeutics; competes for AI/ML-enabled drug discovery partnerships and talent.
- Exscientia: AI-driven precision medicine company with clinical-stage assets designed end-to-end by its AI platform; peer in AI-first drug discovery targeting pharmaceutical partners.
- Atomwise: AI-driven small molecule discovery company using structure-based deep learning models for hit identification; directly comparable as an AI/ML-first drug discovery platform targeting similar pharma partners.
Emerging players
- OpenEye Scientific (Cadence Molecular Sciences): Provides molecular modeling, cheminformatics, and MD simulation software for drug discovery; overlaps with the Desmond software product and cheminformatics modeling category.
- XtalPi: AI + physics-based drug discovery company combining quantum physics, cloud HPC, and ML to predict crystal structures and molecular properties; comparable platform play with significant China-based operations.
Broad incumbents
- Google DeepMind (AlphaFold team): Operates the AlphaFold protein structure prediction platform widely used in computational drug discovery; sets the bar for ML-based structural biology that competing platforms, including DESRES, must integrate with or differentiate from.
Market position
Strengths5 records
Weaknesses5 records
Competitive moat5 records
Key risks6 records
Key highlights6 records
Customer concentration
D. E. Shaw Research financial estimates
Financial estimateRevenue estimate
Valuation estimate
D. E. Shaw Research leadership team
Management profileNumber of profiles
Profiles1 record
D. E. Shaw Research funding detail
Funding detailFunding overview
Funding rounds
Investors
Funding detail is available on the Subscription and Enterprise plan.Contact sales →
D. E. Shaw Research M&A and investment
M&A and investmentM&A
Investments1 record
M&A and investment is available on the Subscription and Enterprise plan.Contact sales →
Frequently asked questions about D. E. Shaw Research
What does D. E. Shaw Research do?
D. E. Shaw Research develops special-purpose Anton supercomputers and novel computational methods to perform ultra-high-resolution molecular dynamics simulations of biological molecules. It applies these technologies, combined with machine learning, to elucidate molecular mechanisms of disease, identify therapeutic targets, and design precisely targeted drug candidates, including seven clinical-stage drugs (three developed independently and four in collaboration with Relay Therapeutics).
Is D. E. Shaw Research a public or private company?
D. E. Shaw Research is a private company. It is classified as founder individual operated bootstrapped and is currently operating.
When was D. E. Shaw Research founded?
D. E. Shaw Research was founded in 2002. It employs 101 to 250 people.
Where is D. E. Shaw Research based?
D. E. Shaw Research is headquartered in New York, United States, in the North America region.
How does D. E. Shaw Research make money?
Three revenue lines are on record. Drug Discovery Collaborations are the primary driver. The others are independent Drug Development and technology Access (Anton).
Who are D. E. Shaw Research's main competitors?
Direct peers on record are Schrödinger, Inc., Isomorphic Labs, Relay Therapeutics, Insitro, Recursion Pharmaceuticals, Exscientia and Atomwise. Emerging players are OpenEye Scientific (Cadence Molecular Sciences) and XtalPi. Google DeepMind (AlphaFold team) is listed as a broad incumbent.
Does D. E. Shaw Research have an API?
No public API is recorded for D. E. Shaw Research.
What industry is D. E. Shaw Research in?
D. E. Shaw Research's product category is Computational Drug Discovery. Its primary akta.pro industry code is HLAAAIAE, AI/ML-Enabled Biologic Discovery Platforms (computational design, in silico screening), with a secondary code of HLAGAJAO, AI/ML Platforms for Drug Discovery & Experiment Optimization. Its NAICS code is 541714 and its SIC code is 8731.