Machine Learning Scientist – Generative Molecular Design
Core
Build the generative engine at the center of SandboxAQ's material discovery work, finding compounds that match desired property profiles by navigating chemical space.
Role type
Senior IC machine learning scientist (generative molecular design)
Builds
A generative platform for material discovery used across drug discovery and material sciences
Domain
Life sciences / Material sciences / Generative AI
Deliverable
production ML models
Required skills
Generative ML (diffusion, flow-matching, GFlowNets, LLMs, agents), Multi-objective optimization, Data ingestion and QC, PyTorch/TensorFlow/JAX, Cloud platforms (GCP/AWS), Production-grade code
Preferred skills
Active learning and Bayesian optimization, Guided generative modeling for materials, Agentic and LLM approaches to material discovery
Technologies
PyTorch, TensorFlow, JAX, Google Cloud Platform, AWS
Responsibilities
Architect and evolve the flagship generative platform; Implement and optimize state-of-the-art generative models; Own the reward interface integrating surrogates and simulation oracles; Develop computational methods to generate and evaluate hypotheses; Identify and validate data sources; Collaborate with ML researchers and R&D teams
Seniority
Senior, hands-on IC
