Machine Learning Scientist, Generative Molecular Design (Material Discovery)

SandboxAQ, United States

The role

Introduction to the team: The AI Simulation (AI Sim) division at SandboxAQ applies physics and AI simulation to problems in drug discovery and the material sciences. You will work within a highly skilled, multidisciplinary team of computational chemists, physicists, AI experts, and software engineers, on a generative platform that is used across both application areas.

Introduction to the role:

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Machine Learning Scientist, Generative Molecular Design (Material Discovery)

SandboxAQ, United States

Posted pay

$134K–$252K

a year

Compared with similar jobs

This base pay is near the median for ML and AI engineering jobs that are remote in the US with no level in the job title.

Median: $192K a year
Other jobs in the group: 166

We compare the middle of each posted range. This is base pay as posted. The group does not include this job.

Location: United States
Work type: Remote
Level: Not given
Experience: 4+ years
Skills in the job text: AWS
GCP
PyTorch
JAX
TensorFlow
Posted: 15 days ago
Last check: 6 h ago
Job type: ML / AI engineering, Inference & ML systems

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SandboxAQ

Open tech jobs: 28
With posted pay: 100%
Median posted base: $142K–$267K

About SandboxAQ: funding, hiring and pay

SandboxAQ

About SandboxAQ: funding, hiring and pay

Company facts

Money raised: $750MSum of funding rounds on record
Newest round: Series EApr 4, 2025

Funding records can have errors and can be missing. The company page has the links.

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The role

Introduction to the role:

What you need

Essential skills & experience

Hands-on expertise building and shipping modern generative or applied ML for material discovery with at least 4+ years of experience delivering these solutions in industry or an equivalent research setting.
Demonstrated ability to write clean, maintainable, and robust production-grade code designed for industry-scale applications.
Proven ability to build scalable ML, e.g. using PyTorch, TensorFlow, or JAX.
Familiarity with cloud-based platforms (e.g. Google Cloud Platform, AWS) for compute and data processing and storage.
PhD or MSc in Computational Chemistry, Physics, Computer Science, or equivalent.
Excellent communication skills and a record of fostering successful internal collaboration in a fast-paced environment.
Experience developing ML code in a collaborative environment using modern software engineering best practices.

Highly desired skills & experience

We are growing this team across three areas of generative expertise, listed in the order we most need them. You do not need all three — deep, hands-on strength in any one of them is what we are looking for.

Active learning and bayesian optimization. Driving a design-make-test loop with an expensive oracle such as a physics simulation (DFT, molecular dynamics) or an experimental lab-in-the-loop assay.
Guided generative modeling for material discovery; generation constrained to makeable chemical space; inference-time steering (guided diffusion, sequential monte-carlo and related approaches) or fine-tuning (LoRA, reinforcement learning) for adapting general models to a particular domain of interest;.
Agentic and LLM approaches to material discovery.

WHY JOIN US?

We offer competitive compensation, a comprehensive benefits package, and opportunities for professional growth.

Compensation: Competitive base salary commensurate with experience, plus equity and performance-based incentives.
Benefits: Comprehensive health, dental, and vision insurance; 401(k) with company match; generous parental leave.
Work-Life Balance: Flexible hybrid work arrangements, generous PTO, and a culture that respects focus time and recovery.
Career Development: Direct exposure to CHIPS Act-funded programs, senior scientific and executive leadership, mentorship, and dedicated learning budgets to support continued growth.

Machine Learning Scientist, Generative Molecular Design (Material Discovery)

The role

Machine Learning Scientist, Generative Molecular Design (Material Discovery)

The role

What you will do

What you need

Essential skills & experience

Highly desired skills & experience

SandboxAQ welcomes all

About SandboxAQ

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Company facts

SandboxAQ

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