Aqemia is a Paris-based drug discovery company that combines quantum and statistical physics with generative AI to design and evaluate drug candidates at massive scale. As Head of AI, you lead the machine learning research organisation, shaping the predictive modelling roadmap and turning research breakthroughs into concrete improvements of the discovery platform used by chemists, biologists and physicists across the company.
Missions
- Lead and grow a 10-15 person ML research team: management, mentoring, hiring and professional development.
- Define and execute the predictive ML modelling roadmap, keeping research aligned with company strategy.
- Push state-of-the-art innovation across transformers, graph neural networks, diffusion models and multimodal systems.
- Engineer production-ready, high-throughput ML workflows able to evaluate very large chemical spaces efficiently.
- Bridge ML research with practical drug discovery needs across chemistry, biology, physics and engineering teams.
- Establish benchmarking and validation standards for every predictive system.
- Convert research innovations into tangible platform enhancements that accelerate drug design.
Profile
- Master’s degree or PhD in machine learning, AI or a related computational field.
- 5+ years leading scientific or technical teams, including hiring and roadmap ownership.
- Deep expertise in ML for high-dimensional, complex data and in state-of-the-art architectures.
- Strong Python skills and command of the scientific ML ecosystem.
- Experience building predictive models for scientific domains (drug discovery, biology, physics or materials preferred).
- Hands-on experience with multimodal ML approaches.
- Preferred: background in drug discovery or computational chemistry, platform-level ML development, research publications.
