Senior Computational Chemist, Platform Development

About the role

Pierre Fabre Laboratories is looking for a Senior Computational Chemist, Platform Development, to join its Computational & Generative Chemistry team, which supports small-molecule discovery across the portfolio. The team combines physics-based methods with AI/ML and is building an AWS platform so that reliable, reproducible computational tools are accessible to project teams. The role selects, builds, benchmarks and deploys computational chemistry workflows, pilots them with discovery teams and enables project teams to run them independently.

Key responsibilities

• Evaluate open-source and commercial tools and recommend build-versus-buy options with licensing and cost in mind.
• Develop modular, reproducible workflows from molecule generation through prioritisation.
• Deploy containerised pipelines on AWS CPU and GPU infrastructure, scaling workloads while managing cost.
• Partner with IT and cloud engineering on infrastructure, data, security, access and software licensing.
• Benchmark and monitor workflows for scientific performance, throughput and cost, and improve the platform over time.
• Pilot workflows with discovery teams, incorporate their feedback and prepare validated pipelines for routine use.
• Create documentation and hands-on training so project teams can operate pipelines independently, and mentor colleagues.

Required profile

• PhD in computational chemistry, chemoinformatics, molecular modelling or a related field with 5+ years in drug discovery, or an MSc with 8+ years of equivalent experience.
• Hands-on expertise in methods such as docking, virtual screening, molecular dynamics, free-energy calculations or ADME prediction.
• Practical experience with generative chemistry or ML for molecular design or property prediction.
• Track record of building and maintaining production workflows used by others.
• Fluent English; French is a plus.

Required skills

• Strong Python and scientific tools such as RDKit, NumPy and pandas.
• Experience running workloads on AWS or HPC, using job schedulers and containers.
• Working knowledge of Linux, Git, testing and software engineering practices.
• Nice to have: infrastructure-as-code, workflow managers, Kubernetes, ultra-large library screening, cloud-based commercial software, GPU computing, web dashboards.

What we offer

• High-ownership role shaping computational capabilities for drug discovery.
• Access to cloud computing and a choice of open-source and commercial tools.
• Remuneration package with incentives, profit-sharing, shareholding with matching contribution, health and provident insurance, 16 days of RTT holidays plus 25 days of personal leave, and public transport participation.
• Teleworking up to 2 days a week according to company rules.