Senior Scientific Software Engineer, SandboxAQ

• 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

Desirable

• Our team is seeking a Software Engineer to contribute to the development of computational chemistry tools, and bridge the gap from R&D prototypes to stable, well-test, production-ready implementations
• As we continue to expand our portfolio of capabilities – spanning physics-based simulations, large-scale data and knowledge graphs, machine learning, and massively parallel computing – we require reliable and efficient software to drive it
• We are looking for an experienced engineer who can enhance our team’s work through the creation of clean software and collaboration with a team of computational chemists, physicists, AI experts, and software engineers
• This should be founded in a good understanding of the technical challenges and scientific concepts in the drug discovery space, and deep experience building efficient and maintainable implementations of AI- and physics-based simulation software
• 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