Senior Research Investigator (Biologics Computational Science), London

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.

Your Impact

We’re seeking a Senior Research Investigator to join our Computational Sciences team, specialising in Biologics. You will contribute to the design of novel large molecule therapeutics, harnessing the transformative power of our cutting-edge AI drug design engine. This role requires a unique blend of scientific expertise and the intellectual curiosity to explore uncharted territory in therapeutic design.

You’ll play a pivotal role in our drug design projects, working with key internal and external stakeholders to drive the progress of complex projects in early discovery through to candidate selection and, ultimately, advancing candidates towards the clinic. This is an extraordinary opportunity to collaborate closely with Isomorphic Labs’ world-leading AI, ML, and drug discovery experts, developing imaginative new approaches, based on generative AI, to design and optimise protein-based therapeutics.

What You Will Do

• Identify opportunities for computational modelling to enhance biologics discovery programs, including developing new methods.
• Collaborate with machine learning and biologics discovery teams to develop computational and machine learning methods for predicting biologics properties from sequence, including affinity, developability and immunogenicity.
• Apply computational methods to discover novel therapeutics.
• Benchmark existing computational methods and develop baseline models.
• Analyse data from lab experiments to inform decisions for biologics discovery programs.
• Determine what data to generate to improve machine learning models. Implement model-aware prioritization to ensure we are collecting the highest-value data points, laying the foundations for active learning.
• Develop methods for predicting functional properties of biologics, expressed in terms of biophysical constraints.

Skills and Qualifications

Essential

• Experience using computational and machine learning methods to predict biologics properties.
• Experience developing computational methods to predict biologics properties from sequence, such as affinity, developability or immunogenicity.
• PhD or equivalent in computer science, computational biology, structural biology, biochemistry or related field.
• Proficient programming skills with a strong emphasis on Python.
• Experience preparing datasets, benchmarking models, and working with structure-based metrics.
• Comfortable learning new ways of working in fast changing environments

Nice to Have

• Industry experience in a pharma or biotech environment.
• Experience working in multidisciplinary large molecule drug discovery teams.
• Experience with structural modelling of biologics, including 3D protein structure tools.
• Experience using generative-design methods for biologics.
• Experience working with complex biologics modalities, such as antibody-drug conjugates (ADC’s) or multispecifics.

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 .