Chemistry Machine Learning Engineer Job at Barrington James, Alameda, CA

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  • Barrington James
  • Alameda, CA

Job Description

** ML Engineer (AI 4 Chemistry) - New Opportunity - San Francisco/Hybrid **

I'm seeking a Chemistry Machine Learning Engineer / Cheminformatics ML Scientist to join my client in building AI systems that replace lab and animal toxicity experiments with cutting-edge machine learning.

In this role, you'll work at the intersection of AI, chemistry, and drug discovery , partnering with top biotech and pharma teams to push real drug programs forward. You’ll analyze AI/ML predictions on molecular structures, guide experimental design, and directly influence the development of a next-generation AI-driven platform. Your work will have a tangible impact on 100s of drug programs, shaping how new medicines are discovered.

We're looking for candidates with expertise in computational chemistry, cheminformatics, or ML for chemistry , ideally with industry experience in drug discovery. You should be proficient in Python, cheminformatics libraries (RDKit, Datamol), and molecular modeling techniques, with a passion for improving state-of-the-art AI models. Strong communication skills and the ability to engage with scientific teams, present research, and shape AI-driven solutions are essential.

If you're excited about redefining how AI is used in chemistry, let's connect!

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