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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 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 88 18

  3. edboplus edboplus Public

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

    Python 60 18

  4. bandit-optimization bandit-optimization Public

    Forked from beef-broccoli/deebo

    Reinforcement learning prioritizes general applicability in reaction optimization

    Jupyter Notebook 16

Repositories

Showing 10 of 11 repositories
  • 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 88 GPL-3.0 18 5 0 Updated Oct 22, 2024
  • edboplus Public

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

    doyle-lab-ucla/edboplus’s past year of commit activity
    Python 60 MIT 18 6 3 Updated Jun 26, 2024
  • 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 16 MIT 2 0 0 Updated May 10, 2024
  • doyle-lab-ucla/tosylate-reduction-ML’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Mar 29, 2024
  • auto-qchem-notebook-examples Public

    example usage of auto-qchem with jupyter notebooks

    doyle-lab-ucla/auto-qchem-notebook-examples’s past year of commit activity
    Jupyter Notebook 1 3 0 0 Updated Sep 8, 2023
  • 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.

    doyle-lab-ucla/ochem-data’s past year of commit activity
    Python 4 CC-BY-4.0 3 0 0 Updated Jul 25, 2023
  • deoxyfluorination_modeling Public

    Analysis code to model HTE deoxyfluorination dataset.

    doyle-lab-ucla/deoxyfluorination_modeling’s past year of commit activity
    Jupyter Notebook 1 1 0 0 Updated May 24, 2023
  • kraken_utils Public Forked from beef-broccoli/kraken_utils

    Utility functions for handling Kraken descriptors from paper:

    doyle-lab-ucla/kraken_utils’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Mar 4, 2023
  • krkn Public
    doyle-lab-ucla/krkn’s past year of commit activity
    0 0 0 0 Updated Mar 3, 2023
  • autoqchem-lite Public

    Link for original repo:

    doyle-lab-ucla/autoqchem-lite’s past year of commit activity
    Python 0 0 0 0 Updated Mar 28, 2022

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