Job Overview
Location
United States
Job Type
Full-time
Category
Data Science
Date Posted
May 17, 2026
Full Job Description
đź“‹ Description
- • Partner with ML and Computational Chemistry researchers to translate internal scientific code and research prototypes into robust, production-ready software systems for external drug discovery product offerings.
- • Implement and integrate core scientific algorithms—including machine learning, deep learning, and physics-based simulations such as Free Energy Perturbation (FEP)—into scalable, multi-platform product environments.
- • Collaborate within a dedicated cross-functional pod comprising software engineers, computational chemists, AI experts, and product managers to define technical requirements, architecture, and deployment strategies for new features.
- • Ensure the scientific integrity, accuracy, and reproducibility of research models when transitioning from experimental prototypes to production deployment.
- • Drive the full product lifecycle for scientific software tools, from initial research inception through validation, testing, and external deployment to end users in biotech and pharmaceutical settings.
- • Act as the primary scientific liaison between research teams and engineering/product stakeholders, translating complex computational chemistry concepts into actionable product specifications.
- • Identify and resolve technical bottlenecks in scientific code to enable efficient scaling, performance optimization, and reliability in production-grade systems.
- • Maintain and enhance Python-based scientific computing toolkits (e.g., NumPy, Pandas, SciPy) and machine learning frameworks (e.g., scikit-learn, PyTorch) used in drug discovery workflows.
- • Work closely with engineering teams to align product features with real-world scientific use cases, ensuring market fit and user-centric design for external customers.
- • Contribute to documentation, validation protocols, and quality assurance processes to meet regulatory and scientific standards for AI-driven drug discovery tools.
- • Stay current with advancements in computational chemistry, AI in life sciences, and production deployment practices to continuously improve product capabilities and scientific accuracy.
- • Support the adoption of cloud platforms, high-performance computing (GPU) environments, and CI/CD pipelines to streamline the delivery of scientific software products.
- • Communicate technical solutions clearly to both scientific and non-technical audiences to foster collaboration and alignment across teams.
- • Champion a culture of ownership, entrepreneurialism, and impact by taking initiative to solve complex problems and drive projects to completion with high technical rigor.
- • Participate in internal learning and development programs to expand expertise in AI, quantum computing, and computational biology within SandboxAQ’s multidisciplinary innovation ecosystem.
🎯 Requirements
- • PhD in chemistry, biology, or a related discipline
- • 3-5 years of relevant experience in a product-focused engineering or applied science role, translating ML or computational chemistry research into production software in the private sector (biotech/pharma preferred)
- • Experience deploying and maintaining machine learning models for scientific applications (e.g., molecular property prediction, multi-objective optimization)
- • Proficiency with Python toolkits for scientific computing (e.g., NumPy, Pandas, SciPy) and machine learning (e.g., scikit-learn, PyTorch)
- • Strong communication skills and a demonstrated ability to collaborate across disciplines to articulate technical solutions clearly
- • Hands-on mentality with a track record of driving complex technical projects to completion
🏖️ Benefits
- • Competitive base salary, performance-based incentives or bonuses, and equity participation
- • Comprehensive medical, dental, and vision coverage for employees and dependents with generous employer premium contributions
- • Retirement savings with company matching
- • Paid parental leave and inclusive family-building benefits
- • Fully remote work environment
- • Flexible paid time off and company-wide seasonal breaks
Skills & Technologies
Python
PyTorch
Pandas
NumPy
Scikit-learn
Remote
Degree Required
About SandboxAQ Inc.
SandboxAQ is an enterprise AI company spun out of Alphabet in 2022, focused on applying large quantitative models to solve complex problems in cybersecurity, encryption, sensing, and simulation. Its software and hardware solutions combine AI with quantum-inspired methods to help government and Fortune 500 clients secure data, accelerate materials discovery, and optimize sensing for healthcare and navigation. Based in Palo Alto with global offices, the company partners with large systems integrators and cloud vendors to deploy scalable, physics-aware AI platforms for defense, life sciences, and financial services organizations.
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