About the Role
Our team is seeking a Software Engineer to contribute to the development of computational chemistry tools, enabling client-facing teams to deliver solutions for drug discovery.
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 familiarity with scientific concepts and terminology.
What You'll Do
- 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 build on top of the group’s cloud infrastructure
- Manage dependencies and integrate software into CI/CD pipelines
- Adapt software to different commercial cloud backends
- Work closely with the client-facing Drug Discovery Team to identify needs and help with technical challenges
- Gather requirements from application scientists to prototype novel scientific tools
- Offer oversight and guidance for performing mission-critical computational scientific work
- Provide clear and up-to-date documentation
- Foster a work culture of curiosity and kindness
About You
- Bachelors degree in a relevant scientific discipline (for example physics, chemistry, biology, or computer science)
- At least 5 years professional experience (of which 3+ in a non-academic setting) 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 e.g. Numpy
- Experience with relevant development tools and environments (e.g., git, Unix/Linux, cloud-based platforms, containerization)
- 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 Have
- 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
