Senior Researcher/Engineer: AI for biomolecular modelling and simulation

Microsoft · Cambridgeshire

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Contribute to and drive a high-impact, research agenda development on machine learning in the molecular sciences. Develop strategies for integrating large-scale heterogeneous model data from molecular simulation and laboratory experiments and identifying untapped data sources. Write research code to test new approaches or develop novel theoretical and practical insights.

Prepare technical papers and presentations. Working on a day-to-day basis with an international and interdisciplinary research team on one overarching research goal. Being fully committed to one research project that may take several years to come to fruition and prioritizing team success over individual research interests.

Required Experienced in Python software development with object-oriented design and basic deployment, ideally demonstrated by published software projects (e.g., github). Experienced in developing and implementation of deep learning systems (e.g., in PyTorch or JAX) and agentic software design and testing. Experienced in modelling or simulation of molecules, ideally biomolecules High-quality publications in leading disciplinary or interdisciplinary venues or demonstrated leadership in software development.

Experience with protein science, bioinformatics, biophysics or computational Chemistry. Understanding of computational statistics and experience with generative model development (e.g., diffusion or flow-models). Experience in method development for molecular dynamics and statistical mechanics.

Track-record of developing and optimizing novel deep learning architectures.

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