ML Scientist: Generative Materials Discovery (Remote)

SandboxAQ; United States; Remote; USD 130,000 - 170,000; Full time

Job summary

SandboxAQ in the United States is seeking a Machine Learning Scientist to help build the generative engine at the center of our material discovery work. You will design and optimize frontier generative architectures to navigate chemical space and balance multiple objectives.

You will own interfaces between the generative engine and property predictors, ingest and QC data, and turn models into production-ready capabilities used by discovery scientists across the company.

Qualifications

• Hands-on experience shipping generative ML for material discovery.
• 4+ years in industry or equivalent research setting.
• Strong production-grade coding skills.

Responsibilities

• Architect and evolve flagship generative platform for materials discovery.
• Implement and optimize diffusion, flow-matching, and GFlowNets for navigating chemical space.
• Own the reward interface using surrogates and simulators as objective signals.
• Collaborate with ML researchers and cross-functional teams to deliver production-ready models.

Skills

Generative ML

Active learning

Bayesian optimization

Diffusion models

GFlowNets

LoRA

Education

PhD or MSc in Computational Chemistry/Physics/CS

Tools

PyTorch

TensorFlow

JAX

GCP

AWS

Job description

SandboxAQ in the United States is seeking a Machine Learning Scientist to help build the generative engine at the center of our material discovery work. You will design and optimize frontier generative architectures to navigate chemical space and balance multiple objectives.

You will own interfaces between the generative engine and property predictors, ingest and QC data, and turn models into production-ready capabilities used by discovery scientists across the company.