Senior Scientific Software Engineer
Senior engineer at drug-invention startup Aqemia turning physics-based and ML research into production software: optimizing compute-intensive scientific code (GPU/cloud), packaging and serving generative-chemistry models with MLOps, building clean APIs and orchestrating end-to-end workflows, largely in Python. Based in Paris or London, hybrid (3 days on site).
- Compensation
- Not disclosed
- Location
- Paris, FR
- Work setup
- Hybrid
- Seniority
- Senior
- Employment
- Not specified
- Experience
- 5+ years
- Category
- Software engineering
- Posted
Skills
Must have
- MSc or PhD in computer science, applied mathematics or related quantitative field, with background in computational chemistry, molecular simulation or statistical physics
- 5+ years of software engineering experience, with strong expertise in a cheminformatics context
- Strong Python skills and experience with RDKit or similar libraries
- Solid software architecture skills: designing modular, maintainable systems used by several teams
- Hands-on experience with CI/CD, containerization (Docker) and workflow orchestration (e.g. Airflow, Prefect, Kubernetes)
- Experience running compute-intensive workloads at scale on the cloud, including GPUs
- Ability to work closely with researchers, with good communication skills and a collaborative mindset
Nice to have
- MLOps experience: model versioning, experiment tracking, model serving
- Experience mentoring engineers or leading technical standards across an organization
Full description
About AQEMIAAQEMIA 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 , our WTTJ Page, and our LinkedIn.
About our Team
AQEMIA brings together a diverse, multidisciplinary team of 80+ 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.
About our Engineering Department
The Engineering team builds and scales the technical foundations that power Aqemia’s drug discovery engine.
Bringing together expertise across software engineering, cloud infrastructure, data engineering, site reliability engineering (SRE), and scientific computing, the team designs and operates robust, secure, and high-performance platforms that enable Aqemia’s scientific and AI teams to experiment, train, deploy, and run models at scale.
Their work spans data infrastructure, scientific compute systems, cloud operations, orchestration, observability, CI/CD, developer tooling, and platform scalability. By transforming cutting-edge research into reliable and scalable systems, the team accelerates the discovery of new medicines while ensuring operational excellence and an outstanding developer experience.
The role
At AQEMIA, our research teams develop cutting-edge methods, from physics-based statistical mechanics calculations to fine-tuned machine learning models for generative chemistry and property prediction.