Software Engineer, Biomolecular Structure Software
Astera Institute
Summary
The Astera Institute's Prism project seeks a full-time on-site software engineer to lead design and development of new software tools for working with biomolecular structures and experimental data used for biomolecular structure determination in a machine-learning friendly way. The successful candidate will be involved in API design, architecture, and implementation of the package, as well as refactoring existing software to use the new tools. This position reports to the Machine Learning Team Lead.
Job description
Position Summary
The Astera Institute's Prism project seeks a full-time on-site software engineer to lead design and development of new software tools for working with biomolecular structures and experimental data used for biomolecular structure determination in a machine-learning friendly way. The successful candidate will be involved in API design, architecture, and implementation of the package, as well as refactoring existing software to use the new tools. This position reports to the Machine Learning Team Lead.
Responsibilities
- Reviewing existing APIs and codebases to identify constraints and needs
- Reviewing existing requirements and translating them into a final API, and building consensus both within Prism and externally around that API
- Working with scientists to define requirements
- Working with Prism and external scientists to identify where existing software libraries can be used and what must be built new
- Working with Prism and external scientists to ensure correctness of any calculations performed on structures and data
- Writing Python code to implement software, and possibly C/C++ libraries as needed for high performance, including GPU kernels written with CUDA
Qualifications and Experience
- Bachelor's degree in Computer Science or related field with at least 5 years of work experience
- Experience building new software packages from the ground up
- A track record of building software for critical scientific applications
- Experience collaborating with scientists from diverse backgrounds
- Experience working with machine learning pipelines, data preparation, etc. (experience training ML models is not required)
- Nice to have: experience with structural biology data
Requirements
- Bachelor's degree in Computer Science or related field
- At least 5 years of work experience
- Experience building new software packages from the ground up
- A track record of building software for critical scientific applications
- Experience collaborating with scientists from diverse backgrounds
- Experience working with machine learning pipelines, data preparation, etc.
- Python programming
- C/C++ libraries for high performance
- GPU kernels written with CUDA
- Experience with structural biology data (nice to have)
Benefits
- Health insurance
- Daily lunch
- Frontier AI tools
- 403(b) retirement plans
- Flexible PTO
- Paid parental leave
- Commuter benefits
- Health FSAs
- Dependent care FSAs
Company overview
Astera Institute is a nonprofit research institute founded in 2020 by Jed McCaleb and Seemay Chou, dedicated to empowering visionary, high-leverage science and technology projects with transformative potential for human civilization. Operating as a 501(c)(3) private foundation based in Berkeley, California, Astera focuses on areas that lack natural homes in existing innovation ecosystems, particularly Artificial General Intelligence (AGI), neuroscience, life sciences, and climate technology. The institute operates through three main divisions: Neuro & AGI (directed neuroscience and AI research), Radial (life sciences research division), and the Foundation (centralized operational and financial support). With over $2.6 billion in assets and a commitment of up to $500 million over the next decade for its life sciences division, Astera employs a unique "build-test-learn" approach to scientific infrastructure and practices. The organization emphasizes experimentation with how science is conducted through actual research efforts, funding high-risk, neglected ideas that have outsized potential impact. Astera's mission is to steer science and technology toward an abundant future by supporting projects that traditional funding mechanisms often overlook, while also providing operational support, residency programs, and fellowship opportunities to advance scientific discovery and technological innovation.