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[Remote] Senior Scientific Software Engineer, AI Simulation

Work from home Full-time role Hiring

Note: The job is a remote job and is open to candidates in USA. SandboxAQ is a high-growth company delivering AI solutions that address some of the world's greatest challenges. The Senior Scientific Software Engineer role involves developing computational chemistry tools and collaborating with a team to create reliable software for physics-based simulations and machine learning applications.

Responsibilities

  • Maintain and extend existing scientific software packages, and drive the full lifecycle of new ones:
  • Architect and implement cutting-edge scientific and ML software alongside subject matter experts
  • Adopt current practices and ensure stability through testing
  • Work closely with the Engineering Team to deploy these modules into the SandboxAQ’s simulation platform:
  • Manage dependencies, containerize, and integrate software into CI/CD pipelines
  • Integrate with the compute and data backends
  • Define API endpoints and schemas
  • Collaborate with the engineering team to build UI components
  • Maintain and support production deployments of scientific software packages
  • Foster a work culture of curiosity and kindness

Skills

  • Bachelor's degree in a relevant scientific discipline (for example physics, chemistry, biology, or computer science)
  • At least 5 years professional experience in software development, designing and developing well-maintained software systems and collaborating with domain experts to design solutions that meet their needs
  • Strong Python proficiency including experience with numeric and performance libraries like Numpy
  • Experience with ML libraries like PyTorch
  • Experience with relevant development tools and environments (git, Unix/Linux, cloud-based platforms, containerization)
  • Experience using LLM tools and coding harnessed to build quickly while producing understandable, secure, maintainable code that's a strong foundation for long-term development
  • Ability to rapidly write good quality code while not letting the perfect become the enemy of the good
  • Ability to devise, communicate internally and own technical roadmaps, in a self-directed environment
  • Desire to work in a fast-paced team with diverse professional experiences and viewpoints
  • Experience developing software for scientific applications
  • Familiarity with open source scientific and molecular libraries such as OpenMM, RDKit, Scikit-learn
  • Experience with modern deep learning architectures
  • Experience with the drug discovery and drug development processes

Benefits

  • Competitive base salary, performance-based incentives or bonuses (where applicable), 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
  • Inclusive family-building benefits
  • Flexible paid time off
  • Company-wide seasonal breaks
  • Support for flexible work arrangements that enable sustainable performance
  • Opportunities for continuous learning and growth through on-the-job development, cross-functional collaboration, and access to internal learning and development programs.

Company Overview

  • SandboxAQ develops AI and quantum technology solutions that enhance biopharma, cybersecurity, and materials science. It was founded in 2016, and is headquartered in Palo Alto, California, USA, with a workforce of 51-200 employees. Its website is https://www.sandboxaq.com.
  • Company H1B Sponsorship

  • SandboxAQ has a track record of offering H1B sponsorships, with 7 in 2025, 6 in 2024, 3 in 2023, 5 in 2022, 1 in 2021, 5 in 2020. Please note that this does not guarantee sponsorship for this specific role.
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