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Isomorphic Labs

AI-powered drug discovery and development

Research Leader / Senior Scientist - Computational Drug Design

Full-TimeUpdated on 10/23/2026
No salary listed
Senior, Expert
PhD
Cambridge, MA, USA
HybridHybrid; required in-office attendance 3 days per week.
Biology & Biotech

About the job

Requirements
  • A PhD in Computational Chemistry or a related scientific field, or equivalent industrial experience.
  • At least 8 years of professional experience for Research Leader roles or 5 years for Senior Scientist roles in a Computational Drug Design role within biotech, pharma, or a contract research organization setting.
  • A proven track record of project leadership or leading computational chemistry efforts on drug discovery programs, with significant contributions to project progression, ideally from hit identification through lead optimisation or candidate nomination.
  • Expertise in writing and implementing Python scripts for analysis and tool development, and/or using pipelining tools to support cheminformatics and design workflows.
  • For a people or program management position, experience leading a high-performing scientific team and mentoring and empowering team members.
  • A strong track record of scientific achievements evidenced by publications, patents, and presentations.
  • Excellent written and verbal communication and interpersonal skills to work effectively in a cross-functional, collaborative team environment.
  • A track record of strategic thinking and creative problem solving, with adaptability and eagerness to learn new concepts and techniques.
Responsibilities
  • Apply AI-first approaches to provide technical and strategic direction and execute drug design programs, taking ownership as either an overall Program Lead or Computational Chemistry Lead.
  • Collaborate cross-functionally to support data-driven delivery of high-quality scientific solutions to complex technical problems.
  • Establish principles for embedding cutting-edge artificial intelligence and machine learning into modern computational chemistry workflows, ensuring integration across machine learning, Biology, and Chemistry teams.
  • Provide strategic input and technical direction to machine learning platform teams.
  • For Program Leadership, champion the drug discovery pipeline, oversee external collaborations with contract research organisations, and lead programs to meet critical go/no-go milestones.
  • Prepare detailed scientific proposals and reports to support new and ongoing programs.
  • For roles with people-management responsibilities, line manage and mentor a team of 2–3 Computational Chemists, supporting their scientific growth and career development.
Desired Qualifications
  • Prior experience leveraging machine learning and generative artificial intelligence methods for hit finding, such as ultra-large virtual screening and active learning, and for molecular design and lead optimisation, such as REINVENT, cofolding, and AI-powered ligand/pose scoring methods.
  • Knowledge of other drug discovery approaches, including fragment-based drug design, and alternative modalities such as PROTACs, molecular glues, protein–protein interaction inhibitors or stabilisers, and peptides.
  • Understanding of drug metabolism and pharmacokinetics principles, including ADME and DMPK.
  • Fluency in Python and ability to write code for new tools.
  • Track record of authorship of relevant scientific manuscripts and/or inventorship of composition-of-matter patents.
  • Experience working with or managing activities at contract research organisations.

About the company

Isomorphic Labs uses artificial intelligence to speed up drug discovery and development. It applies machine learning and computational methods—building predictive and generative models—to accelerate how drugs are designed and how medical research is conducted. The company differentiates itself by combining the AI breakthroughs from Google DeepMind with Alphabet backing, enabling fast experimentation and scaling across biology while maintaining startup-style agility. Its goal is to bring safer, more effective therapies to market more quickly by advancing AI-driven medicine using deep learning, reinforcement learning, and other advanced techniques.

Company Size

201-500

Company Stage

Series B

Total Funding

$2.7B

Headquarters

London, United Kingdom

Founded

2021

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Simplify's Take

What believers are saying

  • May 12, 2026 Series B raised $2.1 billion, funding clinical execution.
  • The company expanded with Johnson & Johnson on January 20, 2026.
  • Novo-validated partnerships and capital support hiring across AI, chemistry, and clinical teams.

What critics are saying

  • No Isomorphic-designed drug reached human dosing by September 13, 2026.
  • Reuters reported first trials slipped from 2025 to end-2026.
  • Proprietary IsoDDE keeps methods opaque; one failed clinical readout would crush credibility.

What makes Isomorphic Labs unique

  • Google DeepMind spinout, launched 2021, built on AlphaFold and IsoDDE.
  • IsoDDE, released February 10, 2026, claims better generalization than AlphaFold 3.
  • Johnson & Johnson joined Lilly and Novartis, validating multi-modality discovery across targets.

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Benefits

  • Hybrid Work Options

Growth & Insights and Company News

6 month growth

0%

1 year growth

0%

2 year growth

1%
Tech Funding News
Oct 9th, 2026
DeepMind spinout Isomorphic Labs eyes $40B valuation less than five months after $2.1B round: Report — TFN

Isomorphic Labs is reportedly in early talks to raise at a valuation of $40B or up to $50B. The round has not closed.

N24
Sep 8th, 2026
Top VCs select 12 European biotech startups to watch as Isomorphic Labs raises $2.1B

European biotech is attracting significant venture capital as Isomorphic Labs raised $2.1 billion in its Series B round in 2026, the largest investment in AI-driven drug discovery history. This single round exceeded total VC investment in European biotech over previous multi-month periods. Top venture investors cite a maturing ecosystem across the UK, France, and Germany. Key drivers include advanced AI models accelerating clinical trials, strong academic spin-offs from European universities, and increasing participation from large American and global funds in Series A and B rounds. The funding surge reflects broader capital deployment across European deeptech sectors. Venture partners highlight that startups combining biological expertise with scalable software solutions are best positioned for sustained growth through 2026 and beyond.

Crunchbase
Aug 22nd, 2026
Isomorphic Labs - Crunchbase Company Profile & Funding

Isomorphic Labs is an AI-first drug design and development company that transforms drug discovery to design and evaluate new medicines.

Life Sciences Week
Aug 11th, 2026
UK Biotech Funding Hits a Five-Year High: What Is Driving the Recovery?UK biotech investment has just recorded its strongest quarter in five years.

UK Biotech Funding Hits a Five-Year High: What Is Driving the Recovery?UK biotech investment has just recorded its strongest quarter in five years. New figures from the BioIndustry Association (BIA) show that UK biotech companies secured £2.11 billion in equity financing between April and June 2026, including a record £2.05 billion in venture capital. After several years in which access to capital has remained one of the sector's biggest challenges, the figures provide a significant indication that investor confidence is beginning to return. But behind the headline number is a more complicated - and potentially more important - story about where investment is flowing and what that could mean for the next generation of UK life sciences companies. A landmark quarter for UK biotech. The second quarter of 2026 delivered the strongest quarterly venture capital total recorded by UK biotech in five years. A substantial proportion came from one company. London-based Isomorphic Labs, the AI-driven drug discovery company spun out of Google DeepMind, completed a $2.1 billion Series B financing round, valued at approximately £1.6 billion in the BIA figures. The scale of the investment reflects the extraordinary interest surrounding the convergence of artificial intelligence and drug discovery, with Isomorphic Labs developing AI systems designed to accelerate the identification and development of new medicines. The round inevitably transformed the headline figures for the quarter. But removing it does not remove the wider recovery. The recovery goes beyond one megadeal. Excluding Isomorphic Labs, UK biotech companies still raised £498 million in venture capital during the quarter. That compares with £279 million during the same period in 2025. More importantly, investment is beginning to appear across different stages of company growth. Eight seed deals were completed during the quarter, with an average value of £6.4 million. Series A companies collectively raised around £190 million, while later-stage Series B+ companies secured approximately £225 million. There has also been movement in the crucial £10 million to £25 million funding range. Twice as many companies raised rounds of this size during the first half of 2026 as did across the entirety of 2025. For the UK life sciences ecosystem, this matters. Large financing rounds attract attention, but a sustainable biotech sector also depends on companies being able to access capital as they move from early research into clinical development, commercialisation and scale-up. The UK leads europe for biotech investment. The figures also reinforce the UK's position within the European biotech market. UK companies attracted 61% of the £3.3 billion in venture capital invested across European biotech during the second quarter of 2026. That places the UK firmly at the centre of European biotech investment at a time when countries across the continent are competing to attract scientific talent, companies and international capital. The strength of the UK ecosystem has traditionally been associated with established clusters around London, Oxford and Cambridge. But successful life sciences companies increasingly emerge from a much broader national network of universities, hospitals, laboratories, manufacturers and innovation organisations. Regional ecosystems, including the West Midlands, form an important part of that pipeline, particularly across diagnostics, medical technology, advanced manufacturing, healthcare innovation and university spinouts. For the UK to maintain its position, the challenge is not simply producing promising science. It is creating the conditions for companies to remain, grow and raise substantial capital in the UK. Public Markets Remain the Missing Piece Despite the strength of private investment, the recovery is far from complete. Public markets remain notably subdued. Follow-on financing for listed UK biotech companies reached £58 million during the second quarter, up from £36 million in Q1 and £15 million during the same quarter last year. Yet no UK biotech IPOs have taken place so far in 2026. That creates an important divide within the market. Private investors are showing renewed willingness to back promising companies, but the public financing environment has yet to experience the same recovery. For growing biotech businesses, that matters because venture capital cannot support every stage of development indefinitely. A healthy ecosystem ultimately requires multiple routes to capital, from seed investment and venture funding through to institutional finance, public markets, partnerships and acquisitions. What comes next? The second quarter does not mean the difficult funding environment facing biotech has disappeared. Investment remains selective, public markets remain weak and raising capital continues to be challenging for many companies. But the direction of travel is encouraging. The significance of the latest figures is not simply that one exceptional company raised an exceptional amount of money. It is that underneath that deal, investment activity is beginning to broaden across different stages of the UK biotech ecosystem. For founders, investors and researchers, the question now is whether that momentum can be sustained. It is a particularly timely question ahead of Life Sciences Week 2026, taking place from 21-25 September. Funding, investment, commercialisation and scale-up will form part of the wider conversation as researchers, businesses, investors, healthcare leaders and policymakers come together across Birmingham, the West Midlands and beyond. After years in which the UK life sciences funding debate has often focused on what is missing, the latest figures provide something different: evidence that capital is beginning to move again. The challenge now is turning one strong quarter into sustained growth. Sources: BioIndustry Association, UK biotech financing April-June 2026; Isomorphic Labs.

Xcobean Systems Limited
Jul 20th, 2026
Our approach to bioresilience.

Its approach to bioresilience. Google DeepMind and Isomorphic Labs are sharing its joint approach to bioresilience and AI models. Xcobean Tech Desk Xcobean Systems Google DeepMind and Isomorphic Labs have recently announced their collaboration on a new approach to bioresilience, focusing on the development of artificial intelligence (AI) models that can better withstand and adapt to biological challenges. This partnership aims to enhance the robustness of AI systems in healthcare and biotechnology sectors. For businesses in Kenya or East Africa, this development underscores the importance of integrating resilient AI solutions into their operations, particularly in areas such as public health, agriculture, and environmental monitoring. Companies should consider investing in research and partnerships that align with global advancements in bioresilience to ensure they can effectively address local biological challenges while maintaining operational stability. Tech News Analysis