Machine Learning Scientist, Generative Molecular Design (Material Discovery) at SandboxAQ

Role Overview

SandboxAQ is seeking a Machine Learning Scientist to join the AI Simulation division and build the generative engine for material discovery. You will develop frontier generative architectures that navigate chemical space to identify compounds matching specific property profiles.

Key Responsibilities

• Architect and evolve the flagship generative platform for material discovery
• Implement state-of-the-art models like diffusion and flow-matching
• Own the interface between the generative engine and property predictors
• Design reward formulations for complex multi-objective optimization problems
• Manage data ingestion and quality control for training models
• Deploy computational workflows to guide project design decisions

Requirements Snapshot

• Four plus years of experience delivering applied ML solutions in industry
• Ability to write clean and robust production-grade code
• Proficiency with scalable ML frameworks like PyTorch or JAX
• Advanced degree in Computational Chemistry or Computer Science
• Familiarity with cloud platforms for data processing and storage

Expected Impact

You will redefine how the industry discovers new materials by building the core engine that powers SandboxAQ's material discovery work. Your contributions will directly influence the development of critical technologies by enabling the efficient identification of novel compounds.