Senior Scientific Software Engineer – Macromolecular Modeling

About the role

Deep Origin is seeking a Senior Scientific Software Engineer to lead the development of macromolecular modeling tools that power its AI‑driven drug discovery platform. You will work at the intersection of computational chemistry, structural biology, and machine learning, turning complex scientific concepts into production‑grade software.

Key responsibilities

• Design and implement scalable algorithms for preparation, analysis, and modeling of macromolecular systems.
• Translate complex scientific workflows into robust, production‑grade software that enables scientists to run advanced modeling tasks without engineering bottlenecks.
• Collaborate with ML researchers, computational chemists, and engineers to integrate generative and predictive models into the core platform.
• Identify gaps between cutting‑edge academic methods and platform capabilities, evaluate emerging tools, and drive their adoption when they add scientific value.
• Promote engineering excellence through rigorous code review, mentorship, and best‑practice establishment.

Required profile

• Senior‑level software engineering experience (5+ years) with strong proficiency in Python.
• Deep understanding of software development best practices, including version control, testing, code review, and CI/CD.
• Proven ability to design, build, and maintain robust, scalable scientific software.
• Excellent problem‑solving, communication, and collaboration skills in an international, cross‑functional team.

Required skills

• Python
• Object‑oriented programming
• Git (version control)
• Unit testing
• Integration testing
• Continuous integration / continuous deployment (CI/CD)