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    1. Home
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    3. Zitnik Lab

    Zitnik Lab

    Zitnik Lab is an academic research lab in Harvard Medical School's Department of Biomedical Informatics. It develops multimodal, generative and agentic AI that reasons across molecular, cellular, tissue and patient scales to advance scientific discovery, therapeutic design, individualized diagnosis and treatment.

    Visit Website

    At a Glance

    1Tool Listed
    9Products
    7Capabilities
    Discussions
    Boston, MAHeadquarters
    2019Est.
    30Employees
    Focus Areas
    MCP Servers
    Academic Research
    Agent Frameworks
    Connect
    Latest News
    Five Zitnik Lab papers accepted to NeurIPS 2026, including AutoScientists, biological reasoning models, STRAND and StereoPep.Oct 2026
    World Models for Biomedicine published/announced, describing AI systems that simulate biological systems under interventions.2026
    Markets
    • Universities and academic research laboratories
    • Biotechnology and pharmaceutical R&D
    • Clinicians, hospitals and clinical-research organizations
    • Computational biology, genomics, proteomics and drug-discovery researchers
    • +1 more

    AI Tools by Zitnik Lab

    (1)
    View ToolUniverse
    ToolUniverse tool icon

    ToolUniverse

    Scientific Tools for LLM Agents

    MCP ServersAcademic ResearchAgent Frameworks

    Discussions

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    Latest News

    10/2026

    Five Zitnik Lab papers accepted to NeurIPS 2026, including AutoScientists, biological reasoning models, STRAND and StereoPep.

    zitniklab.hms.harvard.edu
    2026

    World Models for Biomedicine published/announced, describing AI systems that simulate biological systems under interventions.

    cell.com
    2026

    Launch and research announcement for Open AI Scientists, an initiative to develop autonomous AI systems that reason, hypothesize and experiment alongside researchers.

    openscientist.ai
    2026

    COMPASS pan-cancer foundation model reported for predicting immunotherapy response.

    nature.com

    Products & Services

    9
    ToolUniverse
    2025

    Open academic ecosystem and Python/MCP platform that lets any LLM operate as an AI scientist through standardized tool discovery, calling, composition and optimization; it integrates 1,000+ scientific resources (the documentation also describes 2,700+ tools in the CLI). Available through PyPI, GitHub, a CLI, Python API and agent integrations.

    TxAgent
    2025

    AI agent for therapeutic reasoning across a universe of biomedical tools, powered by ToolUniverse.

    Medea
    2026

    Omics AI agent for therapeutic discovery that nominates therapeutic targets across cell contexts, predicts synthetic lethality and forecasts immunotherapy response from multimodal patient profiles.

    ATHENA
    2026

    AI agent for treatment reasoning over all FDA-approved drugs since 1939, trained with reinforcement learning over a biomedical tool universe.

    Market Position

    Zitnik Lab is positioned as an academic AI-for-science and AI-for-medicine research group rather than a conventional software company. Its distinctive focus is on scientifically grounded multimodal, geometric and agentic systems; ToolUniverse differentiates from general-purpose agent frameworks and individual scientific APIs by unifying 1,000+ live scientific tools/databases with standardized discovery, calling and composition for AI scientists.

    Leadership

    Founders

    MZ

    Marinka Zitnik

    Associate Professor of Biomedical Informatics at Harvard Medical School; Associate Faculty at Harvard's Kempner Institute, Associate Member of the Broad Institute, and Faculty Affiliate of Harvard Data Science. Before Harvard she was a Stanford Computer Science postdoctoral scholar and Chan Zuckerberg Biohub researcher; she earned a PhD in Computer Science from the University of Ljubljana and researched at Imperial College London, University of Toronto and Baylor College of Medicine.

    Executive Team

    MZ

    Marinka Zitnik

    Lab Director; Associate Professor of Biomedical Informatics, Harvard Medical School

    Stanford Computer Science postdoctoral scholar and Chan Zuckerberg Biohub researcher; PhD in Computer Science from the University of Ljubljana; Associate Faculty at the Kempner Institute and Associate Member of the Broad Institute.

    Founding Story

    Marinka Zitnik announced that she would join Harvard as a tenure-track Assistant Professor in December 2019 and establish a laboratory focused on Artificial Intelligence for Science, Medicine and Health. The initial vision was to develop machine-learning methods for rich biomedical interaction data and translate them into genomics, drug-discovery, health and medical applications.

    Business Model

    Revenue Model

    Academic research lab whose projects are primarily research and open-source initiatives. ToolUniverse is described as an open science, academic research project and is distributed through public GitHub, PyPI, documentation and agent integrations rather than a published commercial subscription model.

    Target Markets

    Industries & Segments
    • Universities and academic research laboratories
    • Biotechnology and pharmaceutical R&D
    • Clinicians, hospitals and clinical-research organizations
    • Computational biology, genomics, proteomics and drug-discovery researchers
    • Developers building AI agents with scientific tools
    Use Cases
    • Drug discovery, drug design and drug repurposing
    • Cancer biomarker discovery, target identification, drug-combination selection and immunotherapy response prediction
    • Precision medicine, individualized diagnosis and treatment reasoning
    • Multi-omics, single-cell and spatial biology analysis
    • Biomedical literature and knowledge-graph exploration
    • Autonomous scientific hypothesis generation and experiment planning
    Notable Customers
    • Harvard Medical School and Harvard University research community
    • Broad Institute of MIT and Harvard research community
    • Roche computational and biomarker scientists
    • Researchers and developers using the open ToolUniverse ecosystem

    Quick Facts

    Headquarters
    10 Shattuck Street, Suite 514, Boston, MA 02115, USA
    Founded
    2019
    Employees
    30
    Office Locations
    Harvard Medical School

    History & Milestones

    2026

    The lab expanded its agentic-AI portfolio with AutoScientists, ATHENA, Medea, ARK, COMPASS, STRAND, OptimusKG and other biomedical AI projects.

    September 2025

    ToolUniverse's paper Democratizing AI Scientists Using ToolUniverse was posted to arXiv; the open platform was launched with a public website, documentation and GitHub repository.

    2025

    The lab's PDGrapher work on phenotype-based therapeutic perturbation prediction appeared in Nature Biomedical Engineering and was covered by Harvard Medicine News.

    2024

    The lab published Empowering Biomedical Discovery with AI Agents in Cell, introducing the AI-scientist direction later embodied in ToolUniverse.

    2023

    The lab helped lead the Scientific Discovery in the Age of Artificial Intelligence perspective in Nature and Zitnik became faculty lead of the AI4Science initiative.

    Key Capabilities

    7
    Multimodal learning across genetic code, single-cell atlases, molecular datasets, clinical records and therapeutics
    Geometric deep learning, graph neural networks and knowledge-graph reasoning
    Generative and agentic AI for hypothesis generation, tool use and experiment planning
    Contextual and individualized prediction across patients, diseases, cell types and tissues
    Scientific-tool integration through standardized AI-Tool Interaction Protocol and Model Context Protocol (MCP)
    Tool discovery, registration, composition, optimization, asynchronous execution and two-tier caching in ToolUniverse

    Integrations & Partnerships

    Platform Integrations

    • ToolUniverse Python package and SDK via PyPI
    • GitHub open-source repository and tu command-line interface
    • Native Model Context Protocol (MCP) server
    • Works with Claude, ChatGPT/GPT, Gemini, Qwen, DeepSeek and other open or closed LLMs
    • Claude Code, Codex, Cursor and other agent/plugin workflows
    • Integrations with scientific databases and resources including FDA, UniProt, PDB, NCBI, PubMed, ChEMBL and STRING

    Key Partnerships

    Roche Access to Distinguished Scientists Programme collaboration on cancer drug discovery and biomarker research
    Anthropic collaboration to add ToolUniverse connectors for scientific discovery in Claude
    Harvard Medical School, Harvard University, Broad Institute of MIT and Harvard and Harvard Data Science Initiative affiliations

    Connect

    Website
    zitniklab.hms.harvard.edu/
    GitHub
    mims-harvard
    X / Twitter
    ScientistTools
    LinkedIn
    tooluniverse-at-harvard-b9aa88385

    AI Topics

    3

    Zitnik Lab focuses on these topics:

    MCP Servers(1)
    Academic Research(1)
    Agent Frameworks(1)
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