Chief ML Scientist: Molecule Design & Discovery

Merck & Co.; Whippany (NJ); On-site; USD 177,000 - 266,000; Full time

Benefits offered by this job

Health care

Vision care

Dental

Job summary

Bayer is seeking a visionary leader for Machine Learning Research to guide ML-driven molecule design across drug discovery. You will define multi-year roadmaps, lead a 25-person team of scientists and engineers, and ensure ML capabilities inform project decisions and progression.

You will apply deep learning, NLP, and ML for chemistry to build predictive and generative models that accelerate discovery while partnering with chemistry and biology experts to deliver impactful outcomes.

Qualifications

• PhD or equivalent with depth in molecular science and ML.
• Deep expertise in ML for molecules (GNNs, transformers, generative methods).
• Experience applying ML to drug discovery and chemistry problems.

Responsibilities

• Define ML strategy and roadmap for molecule design and multi-parameter optimization.
• Lead cross-functional teams across ML research, chemistry, and engineering.
• Deliver ML products used by discovery scientists with reliable support.

Skills

Graph neural networks

Transformers

Generative models

Uncertainty quantification

Active learning

Molecular design

Education

PhD in computational chemistry

Tools

Docking software

Retrosynthesis planning

ADMET predictors

Job description

Bayer is seeking a visionary leader for Machine Learning Research to guide ML-driven molecule design across drug discovery. You will define multi-year roadmaps, lead a 25-person team of scientists and engineers, and ensure ML capabilities inform project decisions and progression.

You will apply deep learning, NLP, and ML for chemistry to build predictive and generative models that accelerate discovery while partnering with chemistry and biology experts to deliver impactful outcomes.