Computational Biologist or Chemist

InVivo AI
Montréal, QC, Canada
Job Type:
  • Programmer/Developer
Degree Level Required:
Masters, PhD
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Computational Biologist or Chemist

As a computational biologist (or chemist) at InVivo AI, you’ll join a growing team of researchers working at the forefront of machine learning for drug development. Currently a member of Techstars’ inaugural AI cohort, we’re an early-stage company located in the heart of Montreal’s booming AI ecosystem.

Working with the close support of some of Canada’s top investors and research institutions, InVivo AI provides the opportunity to apply your technical skills and creativity to truly meaningful problems: the discovery and optimization of small molecule compounds that have the potential to impact the lives of patients.

We’re looking for problem-solvers who believe deeply in the impact AI can have in drug development, who can thrive in a collaborative and close-knit environment, and who have the ambition, drive, and persistence to help transform an early-stage company into a global leader.


Your primary responsibility will be to work closely with our senior research team on the development and implementation of new algorithms. You’ll also assist in the design of projects to address client objectives, drive the effective organization and interpretation of data, and convey capabilities and results to clients in a language they can understand. Finally, you’ll assist in literature reviews and grant proposals, and help drive the creation of technical reports, presentations, and publications on behalf of InVivo.


We’re open to hearing from candidates with all sorts of interesting backgrounds, but ideally you’ll have some combination of:

Strong programing skills (4+ years), including:

  • Python (mandatory)
  • C/C++ and/or Java (bonus)
  • Ease with Linux
  • Experience with Agile methodology

A minimum of 2 years experience in industry or academia, with:

  • Master’s or PhD in bioinformatics, computational biology, computational chemistry, or computer science (but considerable experience in these fields could replace the requirement for an advanced degree)
  • Strong expertise in bioinformatics and a keen interest in drug design and medicinal chemistry
  • Experience in Computer-Aided Drug Design (e.g. structure/ligand-based drug design, molecular docking, virtual screening, QSAR, pharmacophore modeling, PK/PD data analysis and modeling).
  • A good understanding of ML theory and practical knowledge (e.g. feature engineering, regularization, hyperparameter tuning, ensemble methods, CNNs and RNNs)
  • Proven experience using ML for solving problems involving biological or chemical data
  • Experience with one of the many mainstream ML libraries such as pytorch, tensorflow, keras, or sklearn
  • A strong publication record in top conferences and journals in machine learning, bioinformatics, or a related field

The soft skills needed to thrive in an early-stage company, including:

  • Being detail-oriented with the ability to keep a global vision of relevant issues and their solutions
  • Being a self-starter able to work independently with limited day-to-day supervision
  • Strong oral and written communication skills, with the ability to communicate complex scientific concepts to a diverse audience
  • How to Apply

    To apply for this position, please email your CV and cover letter.