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

Pinned

  1. DP5 DP5 Public

    Python workflow for DP5 and DP4 analysis of organic molecules

    Python 174 99

Repositories

Showing 10 of 20 repositories
  • 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 2 0 0 Updated Aug 20, 2024
  • IR.Cai Public
    Goodman-lab/IR.Cai’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Aug 9, 2024
  • DP4-star Public
    Goodman-lab/DP4-star’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Aug 9, 2024
  • SCC Public
    Goodman-lab/SCC’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Aug 7, 2024
  • TwoBondChem Public
    Goodman-lab/TwoBondChem’s past year of commit activity
    Jupyter Notebook 2 0 0 0 Updated Jul 17, 2024
  • Diamond-Energy-III Public
    Goodman-lab/Diamond-Energy-III’s past year of commit activity
    Python 0 0 0 0 Updated Jul 6, 2024
  • Diamond-Energy-II Public
    Goodman-lab/Diamond-Energy-II’s past year of commit activity
    Python 0 0 0 0 Updated Jul 6, 2024
  • Diamond_energy Public
    Goodman-lab/Diamond_energy’s past year of commit activity
    Python 0 0 0 0 Updated Jul 6, 2024
  • CSearch_alignmol Public

    Processing macromodel output file with alignmol function from RDkit

    Goodman-lab/CSearch_alignmol’s past year of commit activity
    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

    Goodman-lab/Script_im’s past year of commit activity
    Jupyter Notebook 1 3 0 0 Updated Jan 21, 2024
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