Computational Chemistry


HTuO is based in beautiful Vancouver, BC, on Canada’s west coast. Born out of a desire to make use of the vast amount of data available from genomics, and to translate it into real world therapies, we are building a molecular modelling platform with the ability to more accurately represent interactions between molecules. Our goal is to develop the capability to more quickly and efficiently create and test drugs that make it to market with less optimization required, across a range of medical conditions, and to be able to work on targets that are inaccessible by existing methods.

This position will hold a “hybrid” role in our company: the successful candidate will help us develop and validate our molecular modelling tools and will transition into a role in which they apply the developed technology towards early stage drug development projects. If successful, the employee will have the opportunity to take on a managing role within the computational chemistry division of the company. The ideal candidate will have experience in the analysis of molecular dynamics, as well as a broad understanding of the field of drug design.

At HTuO, we value creativity and integrity, and have high expectations from all of our staff. We believe in creating a diverse work environment that is balanced, supportive and encourages a healthy work-life balance.

Roles and Responsibilities

  • Help develop and implement metrics for validation of molecular simulations
  • Work with members of development team to identify issues and improve our platform
  • Design and execute strategies for computational drug design
  • Set up and run simulations
  • Assist with the development of our molecular modelling platform
  • Develop and manage R&D projects for both internal and external collaborations
  • Work closely with other team members
  • Communicate with leadership to prioritize and coordinate tasks
  • Work with other members of the team to ensure that goals are met.


  • PhD in computational chemistry, molecular biology or equivalent experience
  • Development experience in Python and/or C
  • Deep experience with molecular modelling simulations and/or computer-aided drug design
  • Early-stage computational drug development experience (hit-to-lead and lead optimization) is a plus


  • Due to covid, remote work is acceptable, but candidates will be asked to relocate to Vancouver, Canada, when it is safe and reasonable to do so.
  • Both qualified Canadian and international applicants are welcome to apply.
  • We encourage diversity and will not tolerate discrimination in any form.

How to apply:

Please send your resume and cover letter to us at - we will only reply to applicants who are selected for interviews.

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