SandboxAQ - Machine Learning Scientist – Generative Molecular Design
Requirements
• 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. • 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.
Responsibilities
• Architect and evolve our flagship generative platform, serving as a core contributor to the engine that will redefine how the industry discovers new materials. • Architect and evolve our flagship generative platform • Implement and optimize state-of-the-art generative models - including diffusion, flow-matching, and GFlowNets, or LLM- and agent-based methods — to navigate high-dimensional chemical space and solve the multi-objective optimization problems that material discovery presents. • Implement and optimize state-of-the-art generative models • Own the reward interface. Integrate learned surrogates, and simulation-derived oracles as the objective signal driving generation, and design reward formulations that hold up when several objectives are in genuine tension e.g. performance against environmental and safety constraints. • Own the reward interface. • Develop and deploy computational methods and workflows to generate and evaluate hypotheses, guiding design decisions and influencing project direction. • Develop and deploy computational methods and workflows • Identify relevant data sources and take responsibility for data ingestion, QC, and validation. • Identify relevant data sources • Collaborate daily with a core group of ML researchers to implement frontier generative architectures, while working closely with the broader R&D, discovery, engineering, and product teams. • Collaborate daily with a core group of ML researchers
Benefits
• US Tier 1$168K – $252K • US Tier 2$151.2K – $226.8K • US Tier 3$134.4K – $201.6K • At SandboxAQ, we are committed to competitive, equitable, and transparent compensation; we continuously benchmark our salaries and total compensation to premium markets to ensure our competitiveness. Individual pay within the above range is determined by job-related skills, experience, education, and geographic location. • With a focus on pay equity and ensuring opportunity for future salary progression, our typical practice is to hire within the first half of the base salary range for a given role and level. This approach allows us to reward performance and increasing expertise consistently as your career develops with us. • We use geographic pay tiers to reflect the pay differences in local markets:For the US: • For the US: • Tier 1: Applies to candidates within 50 miles of New York, San Francisco, San Jose, Seattle, Wash D.C., Boston • Tier 1: • Tier 2: Applies to candidates within 50 miles of Portland, Boulder, Austin, Denver, Chicago, San Diego, Miami, Houston, Dallas, Philadelphia, LA • Tier 2: • Tier 3: Everywhere else in the US • Tier 3: • For the UK: • Tier 1: Applies to candidates within 50 miles of London, Cambridge, Oxford • Tier 1: • Tier 2: Everywhere else in the UK • Tier 2: • For Canada: • Tier 1: Applies to candidates within 50 miles of Toronto & Vancouver • Tier 1: • Tier 2: Everywhere else in Canada • Tier 2: • SandboxAQ is a high-growth company delivering AI solutions that address some of the world's greatest challenges. The company’s Large Quantitative Models (LQMs) power advances in life sciences, financial services, navigation, cybersecurity, and other sectors. • We are a global team that is tech-focused and includes experts in AI, chemistry, cybersecurity, physics, mathematics, medicine, engineering, and other specialties. The company emerged from Alphabet Inc. as an independent, growth capital-backed company in 2022, funded by leading investors and supported by a braintrust of industry leaders. • At SandboxAQ, we’ve cultivated an environment that encourages creativity, collaboration, and impact. By investing deeply in our people, we’re building a thriving, global workforce poised to tackle the world's epic challenges. Join us to advance your career in pursuit of an inspiring mission, in a community of like-minded people who value entrepreneurialism, ownership, and transformative impact. • 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. • Work-Life Balance: • Career Development: Direct exposure to CHIPS Act-funded programs, senior scientific and executive leadership, mentorship, and dedicated learning budgets to support continued growth. • Career Development: • SandboxAQ Welcomes All • We are committed to fostering a culture of belonging and respect, where diverse perspectives are actively sought and valued. Our multidisciplinary environment provides ample opportunity for continuous growth - working alongside humble, empowered, and ambitious colleagues ready to tackle epic challenges. • Equal Employment Opportunity: All qualified applicants will receive consideration regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity, or Veteran status. • Equal Employment Opportunity • Accommodations: We provide reasonable accommodations for individuals with disabilities in job application procedures for open roles. If you need such an accommodation, please let a member of our Recruiting team know. • Accommodations • Read: Guidance for candidates on using AI Tools in interviews • Read: • Guidance for candidates on using AI Tools in interviews
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