Scientific Software Engineer, Biomolecular Simulation
About Bind Research
Bind Research is an innovative not-for-profit research organisation at the forefront of developing tools and datasets to characterise small-molecule interactions with intrinsically disordered proteins. Based in central London, Bind leverages interdisciplinary methods that span cellular studies, experimental biophysics and computational approaches – with a strong focus on biomolecular simulation techniques combined with machine learning. You will play a crucial role in shaping the future of this cutting-edge research initiative from the beginning.
Join Bind Research and help push the limits of drug discovery for intrinsically disordered proteins using cutting-edge machine learning and simulation techniques. Whether you just graduated with some method-development experience or have multiple years of engineering scientific computational tools behind you, we encourage you to apply!
Role Overview
We are seeking a Scientific Software Engineer to develop computational and modelling capabilities at Bind. This role includes developing new simulation protocols and models using best practices in software engineering and scientific reproducibility, large-scale data curation, contributing to open-source software, and system administration.
Key Responsibilities
- Software Development
- Develop innovative simulation protocols and pipelines to elucidate and quantify the binding interactions between small molecules and intrinsically disordered proteins.
- Enhance the usability of simulation methods by implementing automated, streamlined, and efficient software solutions in line with best practices in software engineering.
- Setup and maintain databases of interactions of small molecules and intrinsically disordered proteins and make them accessible to other team members.
- System Administration
- Setup locally-hosted tools and maintain compute systems.
- Develop interfaces to high-performance compute and cloud resources.
- Team Collaboration
- Collaborate closely with other computational team members and experimental biophysicists, assisting others with software development tasks.
- Mentor and support Bind’s interdisciplinary team in computational methods and software engineering.
- Driving Innovation
- Stay current with new developments in software engineering, biomolecular simulation, deep learning, and computational technologies.
- Contribute to the design and execution of cutting-edge simulation-based research projects that advance Bind’s scientific mission.
Qualifications and Expertise
Education and Experience
- Master’s and 3 years of experience or PhD in Computer Science, Physics, Chemistry, Biology, or a related discipline.
- Track record of completed scientific software projects and/or open-source project contributions.
- Good knowledge of simulation techniques such as molecular dynamics or Monte Carlo approaches.
- Experience in applying simulation and modelling techniques to solve complex (biophysical) problems, inform experiments, and make meaningful predictions.
Skills and Abilities
- Strong written and verbal communication skills, with the ability to communicate effectively with team members in diverse fields.
- Strong programming abilities in Python, and extensive experience with the scientific and machine-learning stack: Numpy, Torch/Tensorflow/Jax, Scikit-learn, Scipy, Pandas.
- Proficiency in modern software development practices: code testing, documentation, packaging and deployment, version control using Git.
- Proficiency in a low-level language such as C, C++, or Rust.
- Excellent knowledge of system administration practices, specifically in Unix-like systems and networks.
- Ability to use HPC and / or cloud computing and building automation and orchestration systems for these platforms.
Nice-to-have
- A solid understanding of statistical mechanics and complex systems, and foundational knowledge of modern machine learning and deep learning techniques.
- Experience in computational drug design and associated tooling such as docking, free energy perturbation, QSAR models, and basic cheminformatics approaches.
- Experience with simulation of intrinsically disordered proteins.
- Competence in front-end web design to allow easy interfacing with large datasets.
Additional Attributes
- A strong engineering mindset – you believe ease-of-use, reproducibility, maintainability, and clear documentation are key requirements for scientific software and allow complex projects to deliver outcomes faster.
- Collaborative and interdisciplinary spirit with a strong willingness to engage in team-based research initiatives.
- Dedication to continuous professional development in software engineering, machine learning, system administration and a willingness to learn more about experimental methods.
- Passion for contributing to the establishment and growth of a world-class not-for-profit research organisation.
What we offer
- Industry-competitive salary
- Employer pension contribution in line with market standards
- 30 days annual leave plus 8 bank holidays
- Additional benefits package
Our Culture
- Follow the science. We prioritise rigorous scientific inquiry, relying on evidence and expertise to guide decisions and actions, incorporating the latest research to achieve meaningful, ethical, and impactful outcomes for the public and scientific community.
- Think dynamically. We believe the most effective solutions come from a dynamic, adaptable mindset that embraces uncertainty as a catalyst for discovery, encouraging creativity, challenging assumptions, and approaching problems from multiple angles to foster innovation, navigate complexity, and deliver exceptional results.
- Celebrate a diverse ensemble. We celebrate diversity and inclusion, fostering a culture where all perspectives, backgrounds, and talents are valued, respected, and empowered to thrive, enabling us to better understand our community, collaborate effectively, and deliver impactful solutions.
- Build an innovation hub. We strive to advance disordered protein research by creating and sharing tools and datasets collaboratively, building on past contributions, and working alongside the disordered protein community to deepen understanding and maximise collective impact.
Join Bind Research and help push the limits of drug discovery for intrinsically disordered proteins!
Please apply by sending a CV to careers@bindresearch.org with a short covering paragraph outlining why you are interested in the role. We would like to keep your CV on file for future openings that align with your skills and experience. If you consent to us retaining your application for this purpose, please let us know in the covering email. You may request its removal at any time by contacting info@bindresearch.org.