Computational Biologist

BioAI · London, London, City of
Department BioAI
Employment Type Full-Time
Minimum Experience Mid-level

Founded in 2014, InstaDeep is today an EMEA leader in decision-making AI products for the Enterprise, with headquarters in London, and offices in Paris, Berlin, Tunis, Lagos, Dubai, Cape Town and the USA. InstaDeep has been named among the Top 100 global AI startups for three consecutive years by CB Insights, as well as one of the 100 most promising B2B companies in Europe, by Sifted. We have created an environment that ensures a challenge by working closely with a broad spectrum of high-quality clients, pushing you to thrive in an environment that’s rarely tedious and always looking to push you to come up with outside-the-box solutions using cutting-edge technologies. In our mission to stay ahead of the curve, we are proud to partner with firms such as BioNTech SE, Google DeepMind, NVIDIA and Intel, and world-class universities as MIT, Oxford, UCL, and Imperial College London. We are also an NVIDIA Elite Service Delivery Partner and Google Cloud Partner.

Are you a Computational Biologist developing algorithms and data pipelines focused mainly, but not exclusively, on structural biology? In collaboration with research engineers and other computational biologists from the BioAI team, you will contribute to developing new approaches in molecular modelling, protein interactions, protein designs and other related domains by applying your technical, analytical, and research skills. You will understand the underlying bioinformatics and business problems and follow the latest developments in both machine learning and classical modelling algorithms to identify and harness the right technologies to solve the problems, improve the existing solutions and take part in the commercial deployment of their solution. You will collaborate with a multi-functional team, experiment with different approaches, analyse and communicate the results, in order to deliver proof of concepts, and minimum viable products, and ensure continuous improvement and maintenance for industrialised solutions.

If so then keep reading…. 

As a Computational Biologist, you’ll be a part of the Bio AI team

The Computational Biologist must accomplish the following:  

  • Design, implement and deliver complex pieces of research and engineering in the area of computational.
  • Use classical and/or deep learning biology tools and large biological databases to perform protein design, molecular modelling, and other relevant tasks.
  • Communicate and collaborate with research engineers in a multi-functional team with an open-minded and research-driven aptitude.
  • Conduct rigorous data analysis and statistical modelling to understand the underlying architecture of biological data and hidden biases in machine learning models.
  • Report results clearly and efficiently, both internally and externally, verbally and in writing.
  • Understand and follow the latest developments in both biology and machine learning for structural biology and relevant applications.
  • Write high-quality, maintainable, and modular code together with concise documentation.


  • Master, PhD degree or equivalent experience in Structural Biology, Bioinformatics, Data Science or related scientific field.
  • The ideal candidate must have extensive experience working with large biological datasets, databases (PDB, Uniprot, etc.) and their API technologies as well as some hands-on experience in machine learning, natural language processing, or deep learning applied to biological problems.
  • Relevant areas of experience might include, but are not limited to, direct application computational methods (Deep Learning or Classical) to protein engineering, drug discovery, investigation of allosteric interactions or other functionally important conformational changes in biological molecules, structure/design prediction for proteins, analysis of effects of mutations on protein function and interactions, sequence/-or-/structure based evaluation of protein-based signalling, modelling of protein-protein interactions, or study of fundamental biophysical problems, such as protein folding.
  • Good software engineering experience (Python, Docker, Linux, Git).
  • Experience with protein structure modelling and/or simulation is desired.
  • Experience working with structural biology-related tools such as PyMol. 
  • Excellent communication skills in English.
  • Appropriate work permit for the considered location.

Our Diversity, Equity, and Inclusion commitments

We empower individuals to celebrate their uniqueness here at InstaDeep. Our team comes from all walks of life, and we’re proud to continue to encourage and support applicants from underrepresented groups across the globe. Our commitment to creating an authentic environment comes from our ability to learn and grow from our diversity, and how better to experience this by other than by joining our team? 

At present we operate in a hybrid way allowing work from home or work from the office as per each individual’s preferences. We are continuing to review the situation with the well-being of InstaDeepers at the forefront of our minds.

Right to work: Please note you will require the legal right to work in the location you are applying for. 

Any further questions please do not hesitate to contact us at:

Thank You

Your application was submitted successfully.

  • Location
    London, London, City of
  • Department
  • Employment Type
  • Minimum Experience