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@Goodman-lab

Goodman Lab

Official GitHub for Prof. Jonathan Goodman's research group. Follow for new innovative computational chemistry software and updates of current releases.
  • 34 followers
  • Yusuf Hamied Department of Chemistry,University of Cambridge.

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  1. DP5 DP5 Public

    Python workflow for DP5 and DP4 analysis of organic molecules

    Python 203 109

Repositories

Showing 10 of 26 repositories
  • reductive_amination Public
    Goodman-lab/reductive_amination's past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Aug 17, 2026
  • halogenation_selectivity Public
    Goodman-lab/halogenation_selectivity's past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Jul 15, 2026
  • PASGeN Public
    Goodman-lab/PASGeN's past year of commit activity
    Python 0 MIT 0 0 0 Updated May 7, 2026
  • CSP5 Public

    Code for training CSP5 models.

    Goodman-lab/CSP5's past year of commit activity
    Python 4 MIT 0 0 0 Updated Apr 14, 2026
  • surge Public Forked from StructureGenerator/surge

    A Fast Chemical Graph Generator

    Goodman-lab/surge's past year of commit activity
    C 0 Apache-2.0 19 0 0 Updated Apr 8, 2026
  • Iron-catalyzed-Kumada-Couplings Public

    Database and code related to iron-catalyzed Kumada Couplings and applying ML to predict yield

    Goodman-lab/Iron-catalyzed-Kumada-Couplings's past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Mar 11, 2026
  • IR.Cai Public
    Goodman-lab/IR.Cai's past year of commit activity
    Python 1 MIT 1 0 0 Updated Aug 21, 2025
  • SCC Public
    Goodman-lab/SCC's past year of commit activity
    Python 0 MIT 1 0 0 Updated Aug 13, 2025
  • DP4-star Public
    Goodman-lab/DP4-star's past year of commit activity
    Python 2 MIT 0 0 0 Updated Mar 19, 2025
  • VRAI-selectivity Public Forked from sanha0213/VRAI-selectivity

    Codes from VRAI-selectivity: calculation of selectivity beyond transition state theory publication

    Goodman-lab/VRAI-selectivity's past year of commit activity
    Python 0 MIT 3 0 0 Updated Mar 3, 2025
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