Scientific Software Engineer, AI Simulation

SandboxAQ is a high-growth company delivering AI solutions that address some of the world's greatest challenges. The role of Scientific Software Engineer involves developing computational chemistry tools and transitioning R&D prototypes into stable, production-ready implementations, while collaborating with experts in various scientific fields.

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

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
• 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