Research Software Engineer - OpenBioSim
United Kingdom
Application deadline: 13 Jul 2026
OpenBioSim is a not-for-profit organisation that develops and maintains open-source scientific software solutions for the benefits of stakeholders in academia and industry. We have a particular focus on molecular simulation methodologies for pharmaceutical R&D applications that have potential for increasing the efficiency of drug discovery processes. We work with leading life sciences software vendors and biotechnology organisations to accelerate the development of innovative computational products that help improve human health.
The opportunity
We are currently looking for a research software engineer to work alongside computational chemists and drug discovery scientists on collaborative open-source software projects. You will work on making cutting edge molecular simulation methods accessible to a broad range of scientists working in industry and academia.
Different profiles may fit this role, and we will consider computational chemists interested in taking on a software-focussed role, as well as software engineers with a background in physical sciences.
What the role will involve
- Work alongside computational chemists to develop robust implementations of cutting-edge molecular simulation techniques.
- Prototype AI-enhanced molecular simulation workflows.
- Work with collaborators to benchmark software from academia.
- Contribute to the development of large collaborative open-source software projects such as the BioSimSpace framework for interoperable molecular simulations.
- Apply best practices for developing, maintaining and distributing open-source software development (code reviews, writing unit tests, continuous integration, documentation, user support, packaging).
- Work alongside engineers and researchers to integrate open-source solutions as components of proprietary drug discovery platforms.
We offer a fully remote position and will consider part-time or full-time appointments. Candidates should have the right to work in the United Kingdom.
Skills requirements
Essential
- Experience with Python programming
- Experience of working with GitHub or other open-source development platforms
- Experience of working collaboratively on software development projects
Desirable
- An advanced degree (master's or PhD level) in Chemistry, Physics, Biology or Computer Science
- Experience with C or C++ programming
- Familiarity with molecular simulation algorithms is desirable
- Familiarity with free energy methods such as alchemical free energy calculations would be an advantage
- Familiarity with modern machine learning methodologies and their applications to problem classes in Chemistry and Biology may be useful
- A track-record of successfully using molecular simulation methodologies in research projects in academia or industry would be compelling
Benefits
- Work on cutting-edge open-source scientific software that will contribute to improving human health by accelerating innovations in computation-driven drug discovery
- Generous holidays allowance, and flexible remote working policy
- Competitive compensation package that matches your skills and experience
- Accelerate your career-growth. Learn from highly experienced scientists and engineers. We will support your professional development and help you grow your professional network
How to apply
Please submit your Resume and Cover Letter to careers@openbiosim.org by July 13th 2026 9 am BST. Please confirm in your Cover Letter that you have a right to work in the UK. Where possible document in your application your track record in contributing to open-source research software projects (Github repositories or equivalent). We will get back to you if we would like to progress your application further.
