
Isomorphic Laboratories applies advanced AI to accelerate and improve drug discovery, enabling researchers to design molecules and predict their performance earlier in development. The company builds on AlphaFold and deep learning models to model biological systems, generate candidate therapeutics, and simulate compound behavior. It operates as an AI-first drug discovery platform focused on strategic research collaborations with pharmaceutical companies, biotech firms, and CROs. Core technologies include machine learning, deep learning, and AlphaFold-derived protein-structure modeling. Isomorphic targets the biopharma market to shorten discovery timelines and increase predictive accuracy for therapeutic development.

Isomorphic Laboratories applies advanced AI to accelerate and improve drug discovery, enabling researchers to design molecules and predict their performance earlier in development. The company builds on AlphaFold and deep learning models to model biological systems, generate candidate therapeutics, and simulate compound behavior. It operates as an AI-first drug discovery platform focused on strategic research collaborations with pharmaceutical companies, biotech firms, and CROs. Core technologies include machine learning, deep learning, and AlphaFold-derived protein-structure modeling. Isomorphic targets the biopharma market to shorten discovery timelines and increase predictive accuracy for therapeutic development.
Founded: 2021 (DeepMind/Alphabet spinout)
Headquarters: London
Core focus: AI-driven drug discovery using AlphaFold-derived protein modeling
Notable partnerships: Eli Lilly, Novartis, Johnson & Johnson
Major external funding: $600M led by Thrive Capital (Mar 31, 2025)
Early-stage therapeutic discovery and candidate design/prioritization
2021
Biotechnology Research
600000000
Participation from GV and follow-on capital from Alphabet
“Led by Thrive Capital with participation from GV and follow-on capital from Alphabet”
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Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.
The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug discovery.
Come and be part of an interdisciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring and collaborative culture.
The world we want tomorrow is the one we’re building today. It starts with the culture at this company. It starts with you.
Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. Since then, our interdisciplinary team of drug discovery experts and machine learning specialists has built powerful new predictive and generative AI models that accelerate scientific discovery at digital speed.
Our name comes from the belief that there is an underlying symmetry between biology and information science. By harnessing AI’s powerful capabilities, we can use it to model complex biological phenomena to help design novel molecules, anticipate how drugs will perform and develop innovative medicines to treat and cure some of the world’s most devastating diseases.
We have built a world-leading drug design engine comprising AI models that are capable of working across multiple therapeutic areas and drug modalities. We are continually innovating on model architecture and developing cutting-edge capabilities to advance rational drug design.
Every day, and with each new breakthrough, we’re getting closer to the promise of digital biology, and achieving our ambitious mission to one day solve all disease with the help of AI.
Your impact As the PKPD Lead, you will develop the quantitative pharmacology strategy of drug discovery projects to deliver high quality clinical candidates, whilst using and contributing to the optimisation of state-of-the-art computational and AI drug design models. As part of the DMPK and Quantitative Pharmacology team, you will champion the use of model-informed drug discovery and development on both small molecule and biologics projects. You will work closely with the Biologics Discovery team to further develop AI models for biologics developability.
If you are an experienced and ambitious scientist looking to play an active part in the AI-driven transformation of the pharmaceutical industry, joining Isomorphic Labs will lift you out of your comfort zone and provide an amazing opportunity for personal growth and development.
What You Will Do PKPD Lead
ML interactions
CRO interactions
Since IsomorphicLabs outsource all wet-lab work to external vendors, you will maintain and develop close relationships with the CRO network to:
Ensure high quality and timely data generation to support our portfolio projects.
Leverage the scientific expertise of our external collaborators to enhance the team's impact.
Oversee the delivery of data generation campaigns purposefully designed to support the development of AI-based developability models.
People
Skills And Qualifications Essential:
Nice to have:
Culture and values We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it.
Thoughtful Thoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day.
Brave Brave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less.
Determined Determined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we.
Together Together at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere.
Creating An Extraordinary Company We believe that to be successful we need a team with a range of skills and talents. We're building an environment where collaboration is fundamental, learning is shared and every employee feels supported and able to thrive. We value unique experiences, knowledge, backgrounds, and perspectives, and harness these qualities to create extraordinary impact.
We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy or related condition (including breastfeeding) or any other basis protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.
Hybrid working It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, and would require you to be able to come into the office 3 days a week (currently Tuesday, Wednesday, and one other day depending on which team you’re in). If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.
Please note that when you submit an application, your data will be processed in line with our privacy policy.
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