Applied ML Scientist – Staff/Principal

About the role

Genesis Molecular AI is seeking an Applied ML Scientist at the Staff or Principal level to bridge cutting‑edge AI research with real‑world drug discovery programs. You will develop, evaluate, and deploy generative foundation models that accelerate the design of new therapeutics.

Key responsibilities

• Work directly with project teams to assess model performance, applicability, and add new functionality.
• Assist experimental colleagues by interpreting model predictions and communicating uncertainty.
• Validate model quality against project data and internal/external benchmarks.
• Curate internal and external datasets for training and validation in collaboration with experimental teams.
• Design and analyze experiments on model changes and alternative architectures.

Required profile

• Seasoned computational scientist with proven impact on small‑molecule drug discovery using machine learning.
• Cheminformatics expert proficient with tools such as RDKit or OpenEye.
• Strong understanding of experimental drug discovery assays and CADD workflows.

Required skills

• Python programming.
• RDKit, OpenEye.
• scikit‑learn, PyTorch.
• SQL and data‑pipelining tools.
• Graph neural networks, multitask modeling, active learning, Bayesian optimization.
• Molecule featurization and model validation, uncertainty quantification.

What we offer

• Competitive salary and equity package.
• Comprehensive medical, dental, and vision coverage (100% employee paid).
• 401(k) retirement plan.
• Unlimited paid time off.
• Free lunches and dinners at the office.
• Paid family leave and disability insurance.