Work with us

OpenBioSim operates as a virtual organization with employees working remotely on a part-time or full-time basis.

We are headquartered in the UK and also work with contractors based overseas. If you are interested in joining the team, please consult our vacancies below. 

If there are no currently suitable vacancies we also encourage informal inquiries to to express interest in future job opportunities.

Research Software Engineer

OpenBioSim Community Interest Company – part or full time, remote.


OpenBioSim is a recently established 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.
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.

Skills requirements


  • Experience with Python programming
  • Experience of working with GitHub or other open-source development platforms
  • Experience of working collaboratively on software development projects


  • An advanced degree (Masters 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 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


  • 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

Apply for this Job

Please submit your resume and Cover Letter to . We will get back to you if we would like to progress your application further.

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