Verified Job
Jobs
AI drug discovery lead
Jobs
#663930
Full Time
Job Description
Pattern is building a lean, AI-driven drug discovery engine.
We are seeking a hands-on AI Lead to own all AI strategy and execution across the de novo drug discovery pipeline , working directly with a medicinal chemist who provides chemical constraints and final decision-making.
Responsibilities
• Own the AI components of the full 9-step discovery pipeline, from target selection to docked, synthesis-ready molecules.
• Generate and refine protein structures and binding pockets (AlphaFold / OpenFold).
• Build and run generative and reinforcement-learning models for de novo molecule design.
• Implement docking, scoring, and ranking workflows to prioritize compounds.
• Translate chemist-defined constraints into model objectives and filters.
• Incorporate chemist feedback and experimental data into continuous model improvement.
• Maintain reproducible, automated ML pipelines.
Requirements
• MSc or PhD in Machine Learning, Computer Science, Computational Chemistry, or related field.
• 2+ years hands-on experience building deep learning models.
• Strong Python and PyTorch (or equivalent) experience.
• Background in generative models and optimization (RL, diffusion, GNNs).
• Experience working with molecular or structural biology
We are seeking a hands-on AI Lead to own all AI strategy and execution across the de novo drug discovery pipeline , working directly with a medicinal chemist who provides chemical constraints and final decision-making.
Responsibilities
• Own the AI components of the full 9-step discovery pipeline, from target selection to docked, synthesis-ready molecules.
• Generate and refine protein structures and binding pockets (AlphaFold / OpenFold).
• Build and run generative and reinforcement-learning models for de novo molecule design.
• Implement docking, scoring, and ranking workflows to prioritize compounds.
• Translate chemist-defined constraints into model objectives and filters.
• Incorporate chemist feedback and experimental data into continuous model improvement.
• Maintain reproducible, automated ML pipelines.
Requirements
• MSc or PhD in Machine Learning, Computer Science, Computational Chemistry, or related field.
• 2+ years hands-on experience building deep learning models.
• Strong Python and PyTorch (or equivalent) experience.
• Background in generative models and optimization (RL, diffusion, GNNs).
• Experience working with molecular or structural biology
