Applied AI Scientist

About AQEMIA
AQEMIA is a next-gen pharmatech company generating one of the world's fastest-growing drug discovery pipeline. Our mission is to design fast innovative drug candidates for dozens of critical diseases, such as immuno-oncology. Our unique approach leverages quantum-inspired physics algorithms to power generative AI in designing novel drug candidates—without relying on experimental data.
We already delivered several drug discovery successes within our internal pipeline and through collaborations with pharmaceutical companies. Our most advanced programs are currently in vivo optimization.
The roleWe are looking for an Applied AI Scientist to join Aqemia’s Drug Discovery Platform as an Applied AI Scientist, working at the intersection of ML and molecular science. You’ll split your time between:
50% Applied AI: Contribute directly to internal and partnered drug discovery programs by applying ML rigorously and efficiently in collaboration with chemists and project teams.
50% AI Research: Develop cutting-edge ML models (e.g., GNNs, generative models, physics-informed AI) to predict molecular properties and protein-ligand interactions.

Responsibilities:

• Applied ML for Discovery Programs (50%)
• Own ML workstreams: define goals, manage timelines, communicate with stakeholders.
• Process molecular datasets and apply robust ML models (QSAR, regression, ranking).
• Collaborate with chemists and project leads; deliver results that drive compound prioritisation.
• Make your models and predictions easily accessible to end users ensuring practical usability in drug discovery workflows.
• AI Research & Development (50%)
• Design and implement novel ML algorithms (DL, GNNs, generative, physics-based models).
• Take part in cutting-edge research and bibliographic exploration.
• Collaborate with research and drug discovery teams to translate models into actionable insights.

Requirements:

• Strong problem-solving skills, autonomy and a collaborative mindset.
• MSc or PhD in Computer Science, Machine Learning, Computational Chemistry, or related field.
• Around 3 years of experience applying ML in scientific or industrial settings.
• Strong experience with ML frameworks (e.g., PyTorch, TensorFlow, Scikit-learn).
• Solid Python programming skills and experience working with scientific computing libraries.

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.Interdisciplinary Team : brilliant talent from tech and life sciences.DeepTech Recognition: Part of French Tech 120 and France 2030.Prime Location : Based in central Paris and London (King's Cross) with the possibility of 2 remote days per week.International Environment : The work language is English - relocation support and French lessons granted if needed.Strong Financial Backing : $100M raised from leading European and International investors