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Senior Machine Learning Research Scientist (m/f/d) - Generative AI for Drug Design

Germany - Berlin💼 Full-time🗓 2026-06-30 → 2026-07-30

Core

Design, implement, and validate novel machine learning tools using generative AI to accelerate drug discovery and generate testable hypotheses.

Role type

Senior Machine Learning Research Scientist (Generative AI)

Builds

Novel ML tools and generative models for structure- and ligand-based drug design

Domain

Biopharmaceuticals / Computational Drug Discovery

Deliverable

production ML models

Required skills

Generative AI, self-supervised learning, deep learning, Python, scientific/structured datasets, representation learning

Preferred skills

Diffusion models, flow-matching, reinforcement learning, high-performance computing, cloud platforms, cheminformatics tools, translating research to applied solutions

Technologies

PyTorch, numpy, pandas, scikit-learn, RDKit, Docker, Kubernetes, Google Cloud Platform, AWS, SLURM

Responsibilities

Design and validate state-of-the-art ML models; apply generative frameworks to molecular design; develop predictive models for binding affinity; explore representation learning with large-scale datasets; translate research into drug discovery applications; collaborate with computational biology and chemistry experts; contribute to publications and conferences

Seniority

Senior, hands-on IC

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