Senior Scientific Software Engineer at Aqemia

About the role

Responsibilities:
- Translate physics‑based and ML research methods into production-quality, well-tested software components (Python).
- Design and co-lead the scientific computing stack architecture for scalable cloud deployment.
- Optimize compute-intensive algorithms for CPU/GPU, parallelization, and cost-efficient cloud runtimes.
- Implement MLOps and reproducible pipelines: CI/CD, containerization, model/version management, observability.
- Build and maintain orchestration, workflow, and data pipelines (Airflow/Prefect/Flyte or similar).
- Develop APIs and libraries for cheminformatics and simulation workflows; integrate RDKit and simulation tools.
- Collaborate closely with scientists, ML engineers, and SREs to productionize experiments and ensure reliability.

Requirements:
- MSc or PhD in computer science, applied mathematics, physics, computational chemistry or related quantitative field.
- 5+ years professional software engineering experience; strong, idiomatic Python skills.
- Practical experience in cheminformatics (RDKit), molecular simulation or computational chemistry workflows.
- Experience with cloud platforms, containerization (Docker), Kubernetes, and GPU-accelerated compute.
- Familiarity with MLOps practices: CI/CD, model registry, data/versioning, monitoring and reproducibility.
- Experience with workflow orchestration, API development, and performance optimization for large-scale systems.
- Strong collaboration and communication skills; ability to bridge research and production engineering.

Responsibilities

Translate scientific strategies from research teams into robust, scalable software components and optimize compute-intensive code for cloud infrastructure. You will also co-lead the architecture of the scientific computing stack and implement MLOps practices to support drug discovery workflows.

Requirements

Requires an MSc or PhD in computer science, applied mathematics, or a related quantitative field with a background in computational chemistry or molecular simulation. Candidates must have 5+ years of software engineering experience, strong Python skills, and expertise in cheminformatics and cloud-based compute systems.

Key skills

• Python — in 1101 other listings on The Stack
• Software Engineering — in 188 other listings on The Stack
• Cheminformatics — not in any other listing on The Stack
• RDKit — not in any other listing on The Stack
• Cloud Infrastructure — in 110 other listings on The Stack
• Docker — in 445 other listings on The Stack
• CI/CD — in 602 other listings on The Stack
• Workflow Orchestration — in 16 other listings on The Stack
• Machine Learning
• Statistical Physics
• GPU Acceleration
• MLOps
• Kubernetes
• API Development
• Computational Chemistry
• Molecular Simulation

On The Stack (as of 2026-10-31)

• This is Aqemia's only listing on The Stack.
• 18 visa-sponsored jobs in France on The Stack, posted in the last 60 days.
• 141 visa-sponsored software engineer jobs in Europe on The Stack, posted in the last 60 days.

Frequently asked questions about Aqemia

Is this Senior Scientific Software Engineer role still open?

It was posted on 2026-10-30 and is listed as active on The Stack. Confirm on Aqemia's application page before applying.

Does Aqemia offer visa sponsorship?

This listing is marked as offering visa sponsorship. Eligibility rules are set by the employer, so check the details on Aqemia's site.

Where is this role located?

The listing gives the location as France. It is marked on-site.

What skills does this role ask for?

The listing names: Python, Software Engineering, Cheminformatics, RDKit, Cloud Infrastructure, Docker, CI/CD, Workflow Orchestration, Machine Learning, Statistical Physics, GPU Acceleration, MLOps, Kubernetes, API Development, Computational Chemistry, Molecular Simulation.