Data Scientist leading and scaling data science initiatives for drug discovery at AQEMIA. Collaborating within the interdisciplinary Platform department to optimize molecule search methods.
Responsibilities
Design and improve data-driven methods to benchmark and optimise in silico screening techniques.
Develop models (bayesian optimisation for instance) and analyses to configure optimal screening workflows for each target.
Guide compound selection strategies through quantitative, evidence-based approaches.
Mentor and support data scientists within the Platform team, promoting scientific excellence and skill development.
Contribute to cross-functional technical strategy, working closely with engineers and ML scientists to improve tools, workflows, and model reliability across AQEMIA’s platforms.
Drive applied research projects in areas such as uncertainty quantification and propagation within Binding Free Energy pipelines.
Promote cross-department collaboration, aligning Platform’s data efforts with evolving needs in Chemistry, ML, and Engineering.
Requirements
PhD (or equivalent experience) in Data Science, Physics, Applied Mathematics, Computational Chemistry, or related fields.
10+ years of experience applying advanced data science methods to complex scientific problems.
Proven leadership in driving multi-stakeholder, high-impact scientific projects.
Strong programming skills in Python and experience with scientific computing.
Deep expertise in data analysis, statistical modeling, bayesian optimisation and decision-making in R&D environments.
Strategic mindset with the ability to influence technical direction across teams.
Nice-to-Have: Experience in virtual screening, cheminformatics, or molecular modeling.
Familiarity with tools like RDKit, SMILES, OpenMM, or experience working with molecular simulation outputs.
Knowledge of high-performance computing or cloud-based scientific workflows.
Benefits
Polite note: UK visa sponsorship not currently available for this role at this time
Strong Financial Backing: $100M raised from leading European and International investors
Relocation support and French lessons granted if needed
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