Applied AI Scientist (Cheminformatics)

About

Job Title: Applied AI Scientist (Cheminformatics)
Location: Mississauga, ON, CA L5N 5M8
Duration: 04 Month extension possible based on needs and performance
Minimum Salary: $39.00 Per Hour CAD
Maximum Salary: $44.00 Per Hour CAD
Work Location: Onsite role within the Mississauga Campus – candidate required to work onsite at least 3 days every week.

Qualifications

• PhD, pursuing a PhD degree (currently enrolled student) or equivalent advanced research experience in Computational Chemistry, Biophysics, Bioengineering, Computer Science, or a related technical field.
• Deep understanding of AI/ML methods specifically applied to molecular modeling and cheminformatics.
• Hands‑on experience building and deploying generative AI architectures, specifically Transformers, Large Language Models (LLMs), Graph Neural Networks (GNNs), Diffusion models, Variational Autoencoders (VAEs), GFlowNets Reinforcement Learning Learning (RL).
• Proven expertise and hands‑on experience specifically in Property‑Guided Molecule Generation.
• Proficiency in Python and experience writing clean, modular, and testable code using standard ML and cheminformatics libraries (e.g., PyTorch, RDKit).

Responsibilities

• Design and implement state‑of‑the‑art generative AI pipelines to design novel small‑molecule candidates optimized for specific performance metrics within our sequencing platforms.
• Design, train, and deploy advanced generative architectures for Computer‑Aided Synthesis Planning (CASP), ensuring proposed molecules have highly feasible reaction pathways.
• Build automated machine learning models capable of predicting molecular performance phenotypes from 2D chemical structures, helping chemists prioritize or eliminate candidates prior to synthesis.
• Apply advanced few‑shot learning techniques to combine molecular representations learned from massive public databases with client’s proprietary, high‑quality datasets.
• Fine‑tune public models on proprietary data for property prediction and to optimize relevant performance metrics.
• Work closely with experimental chemists and internal stakeholders to integrate in‑silico predictions into applied AI frameworks used across our R&D pipeline.

Benefits

• A dedicated 4‑month, full‑time (40 hours per week) professional contract.
• Project commencement scheduled for June 1st, 2026.
• Competitive compensation.
• Ownership of meaningful, business‑critical applied AI projects that directly impact commercial sequencing instruments.
• Opportunity to work with experienced AI engineers, chemists, and ML practitioners in the biotechnology industry.