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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.

Popular repositoriesLoading

  1. metal-site-predictionmetal-site-predictionPublic

    Jupyter Notebook 38 8

  2. perovskites-distortionsperovskites-distortionsPublic

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

    Python 6 2

  3. iesm-publiciesm-publicPublic

    Student Version of the Introduction to Electronic Structure course notebooks

    Jupyter Notebook 5 1

  4. allmetal3dallmetal3dPublic

    Metal and Water prediction

    JavaScript 4

  5. evolveevolvePublic

    Genetic Algorithm Toolbox for Protein and Enyzme Design

    Python 2

  6. mdmc-2020mdmc-2020Public

    Repository for the Molecular Dynamics and Monte Carlo Course

    Jupyter Notebook 2

Repositories

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Showing 10 of 12 repositories
  • lcbc-epfl/mdmc-public’s past year of commit activity
    Jupyter Notebook 1MIT 1 0 0 UpdatedMar 9, 2025
  • lcbc-epfl/allmetal3d-chimerax-plugin’s past year of commit activity
    Python 1MIT0 0 0 UpdatedFeb 7, 2025
  • allmetal3d Public

    Metal and Water prediction

    lcbc-epfl/allmetal3d’s past year of commit activity
    JavaScript 4MIT0 0 0 UpdatedFeb 5, 2025
  • 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 5 1 1 0 UpdatedDec 9, 2024
  • lcbc-epfl/metal-site-prediction’s past year of commit activity
    Jupyter Notebook 38 8 1 0 UpdatedJan 10, 2024
  • 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 Notebook00 0 0 UpdatedOct 30, 2023
  • evolve Public

    Genetic Algorithm Toolbox for Protein and Enyzme Design

    lcbc-epfl/evolve’s past year of commit activity
    Python 2GPL-3.00 0 0 UpdatedMar 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 6MIT 2 0 0 UpdatedJun 17, 2022
  • lab-olympics Public

    Comp Chem Lab Olympics

    lcbc-epfl/lab-olympics’s past year of commit activity
    00 0 0 UpdatedNov 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 20 0 0 UpdatedMay 10, 2021

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