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.

About Iso 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.

We’ll be at NeurIPS 2025 in San Diego conducting in-person interviews with exceptional Machine Learning Engineers at all levels to join our teams in London and Lausanne. Our team will review your application and if there is a match we will invite you to start the initial screening process. Upon successful outcome, we will invite you to our role assessment stage which will be conducted in-person during NeurIPS 2025 conference. What You Will Do

• Partner with the ML Research, Drug Design, and Data Engineering teams to design, develop, train, and evaluate a variety of cutting edge ML models at unprecedented scale.
• Apply the state-of-the-art ML models and techniques to real-life drug discovery challenges.
• Build a world-class ML drug design research environment with scalable software and libraries.
• Create novel instrumental drug discovery tools in partnership with domain experts. Take end-to-end ownership from rapid prototyping to production-quality code.
• Iterate collaboratively with scientists and domain experts to deeply understand feature requirements and user feedback.
• Develop tools and libraries to enable large-scale machine learning experiments across thousands of accelerators.

Skills And Qualifications Essential:

• Deep experience with developing large-scale machine learning models.
• Significant experience with solving real-life challenges with ML models and techniques.
• Experience with modern ML frameworks including at least one of JAX, PyTorch or TensorFlow.
• Experience with the full ML research and development lifecycle.
• Experience partnering with research and product teams to prototype and ideally productionise ML models.

Nice to have:

• Interest in chemistry and biology.
• Experience working with biomedical data.
• Knowledge of the pharmaceutical industry, ideally with a focus on drug discovery.
• Experience developing user facing production code.

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.

Click to view other open roles at Isomorphic Labs