Senior Research Scientist · Google Cloud AI · Gemini Enterprise

AI Systems for Agents, Science, and Medicine.

I build production AI systems for agents and scientific work, write practical machine learning for drug discovery, and teach molecular software engineering.

Machine Learning for Drug Discovery book cover

Book

Machine Learning for Drug Discovery

A hands-on guide to machine learning for modern pharma: real case studies, PyTorch code, molecular fingerprints, graph neural networks, generative design, molecular dynamics, and AlphaFold.

All chapters available in MEAP. Use code au35fly for 35% off.

Blog

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About

Noah Flynn

I am a Senior Research Scientist at Google Cloud AI, where I work on Gemini Enterprise. My current work focuses on agentic AI systems for deep research, coding, and data science workflows: the practical pieces of getting models to reason over long context, use tools, and produce work people can trust.

Before Google, I was an Applied Scientist at AWS Agentic AI and a Research Scientist on Amazon's Alexa and AGI team, where I contributed to the Amazon Nova model family. Across those roles, I worked on foundation model adaptation, tool use, evaluation, multilingual data selection, and production release cycles.

My scientific background is in deep learning for drug discovery. I earned my PhD in Computational Biology at Washington University in St. Louis, with research on graph neural networks for drug metabolism and toxicity, and I have worked at AbbVie and Merck on gene regulatory network analysis and generative compound design.

I teach graduate machine learning and cheminformatics at UC Berkeley, and wrote Machine Learning for Drug Discovery to make that intersection easier to enter. I am always glad to hear from people building at the boundary of agentic AI, computational drug discovery, and scientific software.

Away from work, I like skiing around Lake Tahoe, traveling to new places to scuba dive, and finding excuses to be a beginner again. I keep a little more of that side of life on the Hobbies page.

Working on a research collaboration, invited talk, or teaching project around AI systems or computational drug discovery?

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Current Focus

Research

Building agentic systems for Gemini Enterprise research, coding, and data science workflows at Google Cloud AI.

Writing

Machine Learning for Drug Discovery is 100% complete with Manning and nearing full release: real case studies, PyTorch code, and practical molecular science.

Teaching

Teaching graduate molecular science and software engineering at UC Berkeley, from RDKit and PyTorch to graph neural networks and generative design.

Selected Work

Research, Teaching, and Tools

Selected Publications

Recent Publication Highlights

All publications →
  1. Preprint
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    DREAM: Deep Research Evaluation with Agentic Metrics
    Elad Ben Avraham, Changhao Li, Ron Dorfman, and 8 more authors
    ACL, 2026
  2. TMLR
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    COMPASS: Continual Multilingual PEFT with Adaptive Semantic Sampling
    Noah R. Flynn
    Transactions on Machine Learning Research, 2025
  3. Amazon
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    The Amazon Nova Family of Models: Technical Report and Model Card
    Amazon AGI, and Noah R.) Flynn
    2024
  4. EMNLP
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    SEACrowd: A Multilingual Multimodal Data Hub and Benchmark Suite for Southeast Asian Languages
    Holy Lovenia, and Noah R.) Flynn
    In Proceedings of the 2024 Conference on Empirical Methods in Natural Language Processing (EMNLP), 2024
  5. JCIM
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    Message Passing Neural Networks Improve Prediction of Metabolite Authenticity
    Noah R. Flynn, and S. Joshua Swamidass
    Journal of Chemical Information and Modeling, 2023
  6. PLOS CB
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    Machine Learning on Liver-Injuring Drug Interactions with NSAIDs from Hospitalization Data
    Arghya DattaNoah R. Flynn, Dustyn A. Barnette, and 1 more author
    PLOS Computational Biology, 2021
    ‡ Equal contribution
  7. JCIM
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    XenoNet: Inference and Likelihood of Intermediate Metabolite Formation
    Noah R. Flynn, Na Le Dang, Michael D. Ward, and 1 more author
    Journal of Chemical Information and Modeling, 2020