Data Scientist for Active Learning and Small Molecules Design (all genders)

at  Bayer

WHO YOU ARE

We are excited about your talent and passion for this position. Attracting the right talent is important to us. We would be happy to work with you to identify and create the career and development opportunities you are looking for. And if you don’t meet all the requirements, we still look forward to receiving your application. We are all constantly learning!

• You hold a PhD in Computational Chemistry, Computer Science, Mathematics, Physics, Statistics, Applied Mathematics, Bioinformatics, or related fields
• You have prior experience with uncertainty estimation and Active Learning (Conformal predictors, Bayesian models such as Gaussian Processes, etc.)
• You are experienced in developing and applying Machine Learning approaches with a focus on chemistry applications
• You have excellent communication and collaboration skills, and the ability to work effectively in a cross-functional and interdisciplinary team
• You are passionate about solving challenging problems and contributing to the advancement of science and chemistry
• You have excellent Python programming skills and are interested in building your Python package development and Machine Learning skills
• Fluency in both written and spoken English rounds off your profile

• You will design, develop, and implement Active Learning and Bayesian optimization to improve efficacy and bioavailability-relevant properties of small molecules
• You will research, develop, and evaluate novel active learning methods for molecular design, such as conformal predictors, Bayesian models, query-by-committee, expected model change, uncertainty sampling, concept learning, etc.
• You will implement and test synthesis-aware generative models that can generate realistic and novel active ingredient candidates
• You will integrate and deploy the active learning and synthesis-aware generative models into a scalable and robust platform that can support multiple projects and workflows
• You will communicate and coordinate with domain scientists to understand their requirements, provide feedback, and deliver results
• You will act as a bridging partner between our Crop Science and Pharmaceuticals Divisions as part of a Life Science Collaboration
• You will drive continuous improvements in methodologies and processes through your expertise and experience, as well as by partnering with Bayer’s scientists across organizational units