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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.
  • 24 followers
  • Yusuf Hamied Department of Chemistry,University of Cambridge.

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  1. DP5 Public

    Python workflow for DP5 and DP4 analysis of organic molecules

    Python 181 107

Repositories

Showing 10 of 20 repositories
  • SCC Public
    Python 0 MIT 1 0 0 Updated Mar 27, 2025
  • DP4-star Public
    Python 0 MIT 0 0 0 Updated Mar 19, 2025
  • IR.Cai Public
    Python 1 MIT 1 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

    Python 0 MIT 2 0 0 Updated Mar 3, 2025
  • TwoBondChem Public
    Jupyter Notebook 2 0 0 0 Updated Jul 17, 2024
  • Diamond-Energy-III Public
    Python 0 0 0 0 Updated Jul 6, 2024
  • Diamond-Energy-II Public
    Python 0 0 0 0 Updated Jul 6, 2024
  • Diamond_energy Public
    Python 0 0 0 0 Updated Jul 6, 2024
  • CSearch_alignmol Public

    Processing macromodel output file with alignmol function from RDkit

    Jupyter Notebook 0 1 0 0 Updated Jan 21, 2024
  • Script_im Public

    Scripts for computational investigations of large and flexible chemical systems based on the conformation labelling system, ONIOM calculations in Python 3

    Jupyter Notebook 1 3 0 0 Updated Jan 21, 2024
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