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@doyle-lab-ucla

Doyle lab

We are an organic chemistry group at UCLA

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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

Pinned

  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 4 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 77 14

  3. edboplus edboplus Public

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

    Python 51 16

  4. bandit-optimization bandit-optimization Public

    Forked from beef-broccoli/deebo

    Reinforcement learning prioritizes general applicability in reaction optimization

    Jupyter Notebook 11

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