Data Scientist shaping the future of customer management using advanced machine learning technologies at Capital One. Collaborating with cross - functional teams to enhance data - driven strategies.
About the role
- 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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