Scientific Software Engineer, AI Simulation
About The Position
SandboxAQ is seeking a Software Engineer to contribute to the development of computational chemistry tools. This role involves bridging the gap from R&D prototypes to stable, well-tested, production-ready implementations. The engineer will work on physics-based simulations, large-scale data and knowledge graphs, machine learning, and massively parallel computing. The position requires an experienced engineer who can enhance the team's work through the creation of clean software and collaboration with computational chemists, physicists, AI experts, and software engineers. A strong understanding of the technical challenges and scientific concepts in the drug discovery space, along with deep experience building efficient and maintainable implementations of AI- and physics-based simulation software, is essential.
Requirements
- 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
Nice To Haves
- 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
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.
Benefits
- Competitive base salary
- performance-based incentives or bonuses
- 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
- Opportunities for continuous learning and growth through on-the-job development, cross-functional collaboration, and access to internal learning and development programs.
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What This Job Offers
Job Type
Full-time
Career Level
Mid Level
