About AQEMIA
AQEMIA is a drug invention company dedicated to creating entirely new medicines to address major unmet medical needs. At the core of our mission is QEMI, our proprietary molecule‑invention platform, which uniquely combines cutting‑edge science with advanced technology. Powered by physics‑based modeling, statistical mechanics, and generative AI, QEMI allows our teams to design novel drug candidates from first principles.
What makes AQEMIA different is our commitment to true innovation: our research is dedicated to the invention of new molecular entities, not the refinement of existing ones. We focus on inventing never‑before‑seen molecules, without relying on experimental data, and advancing them into a growing pipeline of proprietary programs and strategic partnerships with leading pharmaceutical companies.
Our most advanced preclinical programs are currently in vivo optimization, targeting diseases still waiting for effective treatments, offering our teams the opportunity to work on science that can make a real difference in people’s lives.
For more information, visit AQEMIA.com and LinkedIn.
About our Team
AQEMIA brings together a diverse, multidisciplinary team of 65+ professionals based in Paris and London. Our scientists and engineers, including chemists, physicists, machine learning experts, and software engineers, work side by side to push the boundaries of early‑stage drug discovery.
This close collaboration across disciplines is central to our approach, enabling us to tackle complex scientific challenges from first principles and translate cutting‑edge ideas into novel therapeutic candidates. At AQEMIA, team members are encouraged to contribute their expertise, learn from one another, and play an active role in shaping the future of drug invention.
The role
As a Staff AI Research Scientist, you’ll join Aqemia’s Drug Discovery Platform Teams, leading the development of cutting‑edge AI algorithms for modelling protein‑ligand systems. You’ll collaborate closely with AI researchers, computational chemists, and drug discovery experts to integrate your innovations directly into our platform and accelerate the discovery of novel therapeutics.
At Aqemia, a Staff AI Research Scientist is a senior technical leader – a hands‑on expert who drives AI innovation and ensures it is effectively embedded into the Drug Discovery Platform.
You will be
- Be a technical leader – Drive the development of cutting‑edge AI methodologies for molecular modeling and drug discovery.
- Mentor and support the team – Act as a scientific and technical mentor to junior and mid‑level researchers, fostering innovation and knowledge‑sharing within the team.
- Bridge research and application – Work closely with interdisciplinary teams (AI, computational chemistry, and drug discovery experts) to translate AI research into real‑world impact.
What you’ll do
- Lead research initiatives to develop and apply novel AI models for molecular modeling, protein‑ligand interactions in drug discovery.
- Design and implement advanced machine learning techniques, including deep learning, generative models, graph neural networks, and physics‑informed AI to predict molecular properties and interactions.
- Collaborate with interdisciplinary teams, including computational chemists, physicists, and medicinal chemists, to integrate AI‑driven solutions into real‑world drug discovery pipelines.
- Scale AI models for real‑world applications, optimizing model efficiency, interpretability, and generalization to unseen chemical spaces.
- Mentor and guide junior researchers and engineers, fostering a culture of scientific innovation and excellence.
What we’re looking for
- PhD or equivalent practical experience in AI/ML, Mathematics, Physics, Computational Chemistry or a related field.
- Strong problem‑solving skills, autonomy and a collaborative mindset.
- Expertise in machine learning applied to proteins, small molecules, and molecular simulations.
- Strong programming skills in Python and proficiency with ML frameworks (e.g., PyTorch, JAX, TensorFlow).
- Hands‑on experience with scientific computing libraries (e.g., RDKit, OpenMM) and molecular representations (e.g., SMILES, molecular graphs, 3D structures).
- Ability to bridge AI research with practical drug discovery challenges, designing scalable and interpretable models.
Nice-to-Have Qualifications
- Experience with physics‑informed ML models.
- Background in free energy calculations, docking, or molecular property prediction.
- Familiarity with high‑performance computing (HPC) and cloud‑based ML pipelines.
Preferred mindset
- Pragmatic and impact‑driven – Focused on delivering solutions that work in real‑world applications, balancing scientific rigor with practical usability.
- Eagerness to learn – A strong curiosity for scientific advancements and a willingness to continuously expand your expertise.
- Love for highly scientific challenges – Enthusiasm for tackling complex problems at the frontier of AI and drug discovery.
- Synergy minded – A collaborative spirit, thriving in an interdisciplinary environment.
- Humility – Open to feedback and different perspectives, always striving for improvement.
Aqemia’s Recruitment team leads all recruitment activities for the company. We will not recognise any notional ownership recruitment companies claim over candidates presented directly to hiring managers without our Recruitment team’s consent. Unsolicited resumes sent to us from recruiters do not constitute any type of relationship between the recruiter and Aqemia, and we will not be obligated to pay fees should we hire from those resumes.
Why Join Us?
At AQEMIA, we work for a mission: joining us means having your own impact on changing the way drugs are discovered, and helping to shape the direction of our fast‑growing company and team.
Expanding Drug Discovery Pipeline
Focused on critical therapeutic areas like Oncology, CNS, Immuno‑inflammation… with in vivo proof of concept/patent stage programs. Collaborations with top Pharma, including a $140M Sanofi deal.
World‑Class Interdisciplinary Team
Work alongside exceptional talent at the intersection of technology and life sciences. Our teams combine deep expertise in AI, physics‑based modeling, biology, and medicinal chemistry to push the boundaries of innovation.
DeepTech Recognition
AQEMIA is proud to be part of the French Tech 120 and France 2030, highlighting our role as a key player in Europe’s DeepTech ecosystem.
Prime Location with Flexibility
Our offices are located in the heart of Paris and London (King’s Cross), with flexible work arrangements including up to two remote days per week.
Strong Financial Backing
$100M raised from leading European and International investors.
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