Genesis Molecular AI
San Mateo, CA, New York, NY

ML Research Intern, PhD - 2026

Posted Oct 14, 2025WebsiteLinkedIn

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About this role

About the Role

This is an opportunity to operate as a full member of our research team and to drive forward our ML research agenda for generative modeling of molecular systems. You will be paired with a mentor to work on a high-impact research project at the frontier of generative AI. Your work will likely involve making advancements to novel foundation models, with potential projects in areas like diffusion models, large language models (LLMs), reinforcement learning (RL), and multi-modal learning. We’re looking for exceptional PhD candidates passionate about conducting novel research that contributes directly to our mission of discovering new medicines.

You Will

  • Lead a novel research project from ideation to conclusion, focused on a critical challenge in generative or predictive AI for molecular systems.
  • Push the research frontier by engaging with the latest literature on foundation models, developing new methods in areas like diffusion or RL, and rigorously testing your hypotheses at scale.
  • Design and run experiments at scale to validate most promising approaches and hypotheses.
  • Present your work to the team and contribute your insights to our broader research agenda. Strong internship projects may lead to publications in top-tier venues.

You Are

  • Currently enrolled in a PhD program in Computer Science, Machine Learning, or related fields.
  • A creative researcher with a strong background in machine learning, deep learning, and/or related areas.
  • A first-principles thinker who is passionate about tackling open-ended scientific problems.
  • Curious about the intersection of AI and biochemistry and excited to learn about the drug discovery process.