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@lcbc-epfl

Laboratory of Computational Chemistry and Biochemistry - EPFL

ab initio MD methods based on DFT (cpmd) and their application, adaption and extension to systems of chemical and/or biological interest.

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  1. metal-site-prediction metal-site-prediction Public

    Jupyter Notebook 32 7

  2. perovskites-distortions perovskites-distortions Public

    Collection of useful functions to manipulate/analyse the structures of hybrid organic-inorganic perovskites

    Python 6 2

  3. iesm-public iesm-public Public

    Student Version of the Introduction to Electronic Structure course notebooks

    Jupyter Notebook 4 1

  4. evolve evolve Public

    Genetic Algorithm Toolbox for Protein and Enyzme Design

    Python 2

  5. mdmc-2020 mdmc-2020 Public

    Repository for the Molecular Dynamics and Monte Carlo Course

    Jupyter Notebook 2

  6. mdmc-public mdmc-public Public

    Jupyter Notebook 1

Repositories

Showing 10 of 10 repositories
  • mdmc-public Public
    lcbc-epfl/mdmc-public’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated May 14, 2024
  • metal-site-prediction Public
    lcbc-epfl/metal-site-prediction’s past year of commit activity
    Jupyter Notebook 32 7 0 0 Updated Jan 10, 2024
  • iesm-public Public

    Student Version of the Introduction to Electronic Structure course notebooks

    lcbc-epfl/iesm-public’s past year of commit activity
    Jupyter Notebook 4 1 1 0 Updated Dec 15, 2023
  • packed_dna_8oxog Public

    Data for NCP QM/MM MD with 8oxoguanine defects

    lcbc-epfl/packed_dna_8oxog’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Oct 30, 2023
  • evolve Public

    Genetic Algorithm Toolbox for Protein and Enyzme Design

    lcbc-epfl/evolve’s past year of commit activity
    Python 2 GPL-3.0 0 0 0 Updated Mar 27, 2023
  • perovskites-distortions Public

    Collection of useful functions to manipulate/analyse the structures of hybrid organic-inorganic perovskites

    lcbc-epfl/perovskites-distortions’s past year of commit activity
    Python 6 MIT 2 0 0 Updated Jun 17, 2022
  • lab-olympics Public

    Comp Chem Lab Olympics

    lcbc-epfl/lab-olympics’s past year of commit activity
    0 0 0 0 Updated Nov 18, 2021
  • mdmc-2020 Public

    Repository for the Molecular Dynamics and Monte Carlo Course

    lcbc-epfl/mdmc-2020’s past year of commit activity
    Jupyter Notebook 2 0 0 0 Updated May 10, 2021
  • comp_chem_py Public
    lcbc-epfl/comp_chem_py’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 11, 2019
  • data_management Public
    lcbc-epfl/data_management’s past year of commit activity
    Python 0 0 0 0 Updated Feb 11, 2019

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