Applied ML Scientist (Staff / Principal)
Hybrid (San Mateo, CA), Hybrid (New York, NY), Hybrid (Remote)Full-timePosted 3mo ago
About the role
Senior/Staff/Principal-level applied ML scientist role at Genesis Molecular AI focused on applying cutting-edge AI to drug discovery, bridging long-term research and experimental programs, and deploying state-of-the-art models into active drug programs.
Responsibilities
- Work directly with project teams to assess model performance and utility, including applicability to current project needs, and collaborate with ML and engineering teams to resolve issues or add new functionality.
- Assist experimental colleagues with use and interpretation of model predictions by providing context about model quality and prediction uncertainty.
- Evaluate model quality by validating predictions against project data and internal or external benchmarks.
- Curate internal and external datasets for model training and validation (in collaboration with experimental teams).
- Contribute to design and analysis of experiments on model changes and alternative architectures.
Qualifications
- A seasoned computational scientist with a proven track record of machine learning based methods to impact small molecule drug discovery projects.
- A cheminformatics expert, fluent in molecular data with hands-on mastery of tools like RDKit or OpenEye.
- A scientist who speaks the language of experimental drug discovery, with familiarity with common assay types and CADD workflows (docking, virtual screening, ADME prediction, etc.).
- A rigorous data scientist with experience in modeling and analysis of small molecule datasets, passion for statistical validation, uncertainty quantification, and deriving clear insights from noisy data.
- Hands-on applied scientist and software engineer with strong Python skills and practical knowledge of applied ML toolkit (e.g., scikit-learn, PyTorch).
- An exceptional communicator and collaborator, able to bridge ML researchers and experimental scientists.
- Curious, problem-oriented, and excited to contribute to AI/physics/chemistry/biology intersections and make foundational discoveries.
- Team-oriented, collaborative, mission-driven, with culture of intellectual curiosity.
Skills
Required:PythonMachine Learning for small moleculesCheminformatics toolsModel validation and uncertaintyData curation
Benefits
- Competitive compensation package including salary and equity.
- Comprehensive health benefits: Medical, Dental, and Vision (100% covered for employees).
- 401(k) plan.
- Unlimited PTO policy.
- Free lunches and dinners at offices.
- Paid family leave (maternity and paternity).
- Life and short/long-term disability insurance.
Last updated Jul 20, 2026. Interested? Apply on the company site.
About Genesis Molecular AI
The frontier AI for drug discovery
Genesis pairs frontier AI with world-class drug hunters to discover small molecule medicines. Built on Pearl and GEMS. Partnered with Gilead and Incyte.
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