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@doyle-lab-ucla

Doyle lab

We are an organic chemistry group at UCLA

Hi there 👋

Research

The Doyle lab conducts research at the interface of organic, organometallic, physical organic, and computational chemistry. Our goal is to address unsolved problems in organic synthesis through the development of catalysts, catalytic reactions, and synthetic methods. We apply mechanistic and computer-assisted techniques to the analysis of these reactions in order to uncover general principles that can guide the design of improved catalysts and the discovery of new reactions.

Our website: https://doyle.chem.ucla.edu

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  1. ochem-data ochem-data Public

    Forked from beef-broccoli/ochem-data

    published organic chemistry data. This is a fork of original repo (link below). Automatically pulled by bot.

    Python 7 2

  2. auto-qchem auto-qchem Public

    Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.

    Python 133 23

  3. edboplus edboplus Public

    EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.

    Python 105 30

  4. bandit-optimization bandit-optimization Public

    Forked from beef-broccoli/deebo

    Reinforcement learning prioritizes general applicability in reaction optimization

    Jupyter Notebook 23 1

Repositories

Showing 10 of 19 repositories
  • ScopeBO Public

    Scope selection tool for organic chemistry

    doyle-lab-ucla/ScopeBO's past year of commit activity
    Python 2 MIT 1 0 0 Updated Sep 24, 2026
  • ScopeBO_PublicationData Public

    Publication data for the ScopeBO paper

    doyle-lab-ucla/ScopeBO_PublicationData's past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Sep 24, 2026
  • edboplus Public

    EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.

    doyle-lab-ucla/edboplus's past year of commit activity
    Python 105 MIT 30 3 3 Updated Sep 3, 2026
  • AbbVie-Lin-aminoxyl-collaboration Public

    Code and files for "Scalable Enantioselective Oxidation of Aliphatic N-heterocycles via Catalytic Hydride Abstraction"

    doyle-lab-ucla/AbbVie-Lin-aminoxyl-collaboration's past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Aug 19, 2026
  • Sulfinimidation-Project Public

    Code for the sulfinimidation project with the Toste group, Sigman group, and Genentech.

    doyle-lab-ucla/Sulfinimidation-Project's past year of commit activity
    HTML 0 0 0 0 Updated Jul 2, 2026
  • Markovnikov-hydroamination Public

    DFT files for "Markovnikov hydroamination of terminal alkenes by phosphine redox catalysis"

    doyle-lab-ucla/Markovnikov-hydroamination's past year of commit activity
    0 0 0 0 Updated Jun 19, 2026
  • auto-qchem Public

    Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.

    doyle-lab-ucla/auto-qchem's past year of commit activity
    Python 133 GPL-3.0 23 5 0 Updated Jan 14, 2026
  • Genentech-deoxyfluorination Public

    Code and datasets for clustering and modeling of sulfonyl fluorides in Genentech deoxyfluorination paper

    doyle-lab-ucla/Genentech-deoxyfluorination's past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Jun 26, 2025
  • XEC-novartis Public

    Scripts, files, and information for: "Applying Active Learning to Build a Generalizable Model for Ni-Photoredox Cross-Electrophile Coupling of Aryl and Alkyl Bromides"

    doyle-lab-ucla/XEC-novartis's past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Jun 18, 2025
  • bandit-optimization Public Forked from beef-broccoli/deebo

    Reinforcement learning prioritizes general applicability in reaction optimization

    doyle-lab-ucla/bandit-optimization's past year of commit activity
    Jupyter Notebook 23 GPL-3.0 3 0 0 Updated Mar 7, 2025

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