Computational Drug Designer Lausanne Lausanne

Computational Drug Designer, London, Lausanne

Lausanne;
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.

We aim to accelerate drug discovery through AI, transforming the way diseases are addressed from earlier stages to cure.

Isomorphic Labs (Iso Labs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning Alpha Fold system. We combine drug discovery expertise with machine learning to develop predictive and generative AI models that accelerate scientific discovery at digital speed.

You will play an integral role in our drug discovery project teams, applying modern drug design principles to provide strategic input and advance our programs. You will use AI in computational drug design, gaining hands‑on experience with state-of-the-art computational tools in real‑world challenges. You will contribute scientific expertise and strategic direction to improve our platform.

• 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 related technical field), or equivalent industrial experience.
• 5+ years industrial experience in computational chemistry (CADD) within biotech or pharma setting.
• Strong foundational knowledge of modern computational chemistry, including cheminformatics, virtual screening, docking, machine learning models, model assessment.
• Experience contributing to structure‑based drug design (SBDD) problems, with a proven track record of success.
• Experience writing and implementing Python scripts, or utilising pipelining tools, to support project teams in cheminformatic and computational chemistry design workflows.
• Passion and enthusiasm for applying AI/ML to drug design.
• Excellent communication and interpersonal skills, ability to work effectively in cross‑functional teams.
• Strong growth mindset, adaptability, eagerness to learn new concepts and techniques.

• Experience working with or managing activities at contract research organisations (CROs).
• Familiarity with medicinal chemistry techniques (data analysis software, ADMET principles).
• Knowledge of fragment‑based drug design (FBDD), and alternative modalities like PROTACs, molecular glues, PPI inhibitors or stabilisers.
• Basic understanding of drug metabolism and pharmacokinetics (DMPK) principles.
• Fluency in Python with ability to write code for new tools.
• Track record of authorship of relevant scientific manuscripts and/or inventorship of composition of matter patents.

Our shared values guide our work: thoughtful, brave, determined, and together. We encourage curiosity, creativity and care; fearlessness, initiative and integrity; confidence in our hypotheses and urgency to deliver; and connection, collaboration and catalytic relationships.

We build 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 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 let us know.

We follow a hybrid model requiring employees to be in the office 3 days a week (currently Tuesday, Wednesday, and one other day). 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.