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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.
  • 20 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 173 99

Repositories

Showing 10 of 19 repositories
  • 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
  • IR.Cai Public
    Goodman-lab/IR.Cai’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 5, 2024
  • DP4-star Public
    Goodman-lab/DP4-star’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 5, 2024
  • TwoBondChem Public
    Goodman-lab/TwoBondChem’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Jul 1, 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
  • VRAI-selectivity Public Forked from sanha0213/VRAI-selectivity

    Codes from VRAI-selectivity: calculation of selectivity beyond transition state theory publication [S. Lee and J. M. Goodman, Org. Biomol. Chem., 2021, 19, 3940-3947]

    Goodman-lab/VRAI-selectivity’s past year of commit activity
    Python 0 MIT 2 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
  • DP5 Public

    Python workflow for DP5 and DP4 analysis of organic molecules

    Goodman-lab/DP5’s past year of commit activity
    Python 173 99 17 5 Updated Dec 1, 2023
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