Computational Drug Designer

About Iso

Isomorphic Labs (Iso Labs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning Alpha Fold 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.

You will play an integral role in our drug discovery project teams, applying your knowledge and track record of modern drug design principles to provide strategic input to advance our programs. You will apply the latest AI to computational drug design, gaining hands-on experience using state-of-the-art computational tools for real-world drug discovery challenges. Alongside world-leading AI/ML Drug Design Platform teams, you will deliver scientific expertise and strategic direction to drive improvements in our platform.

If you are a skilled and ambitious scientist looking to take the next step in your career, joining Isomorphic Labs now will lift you out of your comfort zone and provide you with an amazing opportunity for personal growth and development.

• Apply your expertise in computational drug design to solve drug design problems and provide technical direction to our Platform teams.
• Collaborate internally and with third party organisations to support the data-driven delivery of high quality designs, and solutions to complex technical problems.
• Prepare detailed scientific proposals and reports to support new and ongoing drug discovery programs.
• Mentor and support the development of more junior colleagues in our growing team.
• Embrace and champion our culture of inclusion and continuous professional development.

• PhD in Computational Chemistry, Medicinal Chemistry, Synthetic Organic Chemistry (or a related technical field), or equivalent industrial experience.
• 5+ years industrial experience in computational chemistry (CADD), operating within a biotech or pharma setting.
• Strong foundational knowledge of modern computational chemistry, including core computational chemistry concepts (e.g. cheminformatics, virtual screening, docking, machine learning models, model assessment).
• Experience of contributing to structure-based drug design (SBDD) problems, with a proven track record of success.
• Experience of writing and implementing Python scripts, or utilising pipelining tools, to support project teams in cheminformatic and computational chemistry design workflows.
• A genuine passion and enthusiasm for applying AI/ML to drug design and how this can transform the field.
• Excellent communication (written and verbal) and interpersonal skills, with an ability to work effectively in a cross-functional, collaborative team environment.
• A strong growth mindset, adaptability, and eagerness to learn new concepts and techniques.

• Experience working with or managing activities at contract research organisations (CROs).
• Familiarity with medicinal chemistry techniques (e.g. data analysis software, ADMET principles).
• Knowledge of other specific drug discovery approaches like fragment-based drug design (FBDD), and alternative modalities like PROTACs, molecular glues, PPI inhibitors or stabilisers etc.
• Basic understanding of drug metabolism and pharmacokinetics (DMPK) principles.
• Fluency in Python with…