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Gandeeva Therapeutics

Computational Scientist, Drug Design

Gandeeva Therapeutics Inc. is a rapidly growing precision biotechnology company located in Greater Vancouver, BC, Canada harnessing the power of cryo-EM technology and machine learning to advance drug discovery and development at scale. Gandeeva seeks to achieve transformative societal impact on public health by revolutionizing drug discovery and by lowering the risk of late-stage clinical failures. Our unique and world-leading AI-enabled cryo-EM drug discovery platform combines deep biochemical and structural knowledge to target the most important protein sites and translates this knowledge into superior precision medicines for patients.

We are expanding our interdisciplinary and innovative team of biologists, chemists, microscopists, engineers, software developers and business professionals who work closely together in a state-of-the-art facility that provides a stimulating environment and reflects our inclusive and welcoming culture. Join us on our mission to bring new treatment options to patients by revolutionizing drug discovery!

We are seeking a highly motivated and exceptional Computational Scientist who will focus on developing and applying AI/ML approaches to small molecule design to support Gandeeva’s drug discovery programs. This role involves both the development of innovative computational methods as well as the application/evaluation of established methods towards the invention of novel medicines.


  • Develop new scientific workflows for the discovery of small molecule drugs
  • Apply a variety of cheminformatic and modeling techniques to accelerate the development of hits into clinical candidates, while collaborating with CADD/medicinal chemistry teams
  • Stay up to date with advances in the areas of machine learning and molecular modeling as relevant to drug discovery
  • Improve the efficiency and accuracy of existing modeling tools and scientific workflows
  • Perform other related duties as required

Qualifications and Experience:

  • PhD or MSc in computer science, applied math, statistics, bioinformatics, physics, chemistry or a related discipline.
  • Two or more years’ experience working with major deep learning frameworks (PyTorch, TensorFlow, JAX etc.) developing deep generative models and working with modern deep learning methods such as graph neural networks, Transformers, diffusion models, etc.
  • In-depth understanding of modern and classical machine learning (ML) methods with practical experience designing, training, and validating such algorithms.
  • Experience building scalable, optimized scientific software, and knowledge of GPU computation and CUDA.
  • Experience developing structure guided computational drug-design or protein design methods is desirable.
  • Must have demonstrated ability to work with a high level of personal and professional integrity, and ethics.
  • Excellent written and verbal communication skills.
  • Attention to detail with strong critical thinking and decision-making abilities.
  • Strong time management skills with the ability to prioritize and meet deadlines.
  • Ability to thrive in a fast-paced environment with changing priorities.
  • Must be an independent, self starter who is also an excellent team player with the flexibility to work collaboratively in a multi-disciplinary environment.

Gandeeva Therapeutics Inc. is an equal opportunity employer. A highly competitive total compensation package along with comprehensive health benefits will be offered to the successful candidate. Come join us in beautiful Greater Vancouver!

Job Type: Full-time


  • Casual dress
  • Company events
  • Dental care
  • Disability insurance
  • Discounted or free food
  • Employee assistance program
  • Extended health care
  • Flexible schedule
  • Life insurance
  • On-site parking
  • Paid time off
  • RRSP match
  • Stock options
  • Tuition reimbursement
  • Vision care
  • Work from home


  • 8 hour shift

Supplemental pay types:

  • Bonus pay


  • Master's Degree (preferred)

Work Location: Hybrid remote in Burnaby, BC