Principal Scientist (m/f/d)

Your Profile:

• PhD in Computer Science, Chemistry, Physics, Mathematics, or a related quantitative discipline
  
• Several years of experience applying computational approaches to drug discovery within the pharmaceutical, biotechnology, or related life sciences industry
  
• Strong expertise in machine learning, artificial intelligence, and data science methodologies to chemical data
  
• Demonstrated knowledge in one or more of the following areas: molecular property prediction, foundation models for molecular data, generative molecular design, reaction prediction, structure-based modeling, or agentic AI for scientific discovery
  
• Proven proficiency in Python-based scientific computing, machine learning frameworks, and cheminformatics tools such as RDKit
  
• Experience with collaborative software engineering best practices, including version control, testing, and CI/CD workflows
  
• Creative, collaborative, and proactive mindset, with excellent communication and stakeholder-management skills and a demonstrated ability to influence and work effectively across multidisciplinary teams

Your Tasks:

• In your new role, you will identify, develop, validate, and advance state-of-the-art computational methods in molecular AI/ML, cheminformatics, and structure-based drug design.
  
• You will drive the application of these innovative computational approaches to support the discovery and optimization of novel lead compounds.
  
• Furthermore, you will partner closely with medicinal chemists, computational scientists, and multidisciplinary project teams to understand scientific needs and priorities.
  
• You will communicate model outputs and limitations effectively and translate computational insights into actionable recommendations.
  
• Moreover, you will collaborate with software engineers, data scientists, and other partners to develop and deploy scalable computational workflows for molecular design, synthesis planning, and decision support, integrating them into our digital ecosystem.
  
• Finally, you will mentor postdoctoral researchers and scientists, and establish, lead, and supervise internal and external scientific collaborations.

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