Machine Learning Scientist – Generative Molecular Design at SandboxAQ

Role Overview

This Machine Learning Scientist role involves building the generative engine at the center of SandboxAQ's material discovery work. You will work within a multidisciplinary team to develop a platform that identifies compounds matching desired property profiles by navigating complex chemical spaces.

Key Responsibilities

• Architect and evolve the flagship generative platform for material discovery
• Implement and optimize state-of-the-art models like diffusion and GFlowNets
• Own the interface between generative engines and property predictor reward signals
• Develop computational workflows to generate and evaluate material hypotheses
• Identify and manage data ingestion and quality control for model training
• Collaborate with multidisciplinary teams to turn models into production capabilities

Requirements Snapshot

• Four or more years of experience shipping generative ML for material discovery
• Proficiency in writing production-grade code using PyTorch, TensorFlow, or JAX
• Advanced degree in Computational Chemistry, Physics, or Computer Science
• Familiarity with cloud-based platforms like Google Cloud Platform or AWS
• Experience with collaborative software engineering and modern development practices

Expected Impact

You will redefine how the industry discovers new materials by building a core generative engine that solves complex multi-objective optimization problems. This work directly supports critical initiatives like building the semiconductor supply chain and advancing materials science through AI-driven simulation.