Skip to content
@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 repositories Loading

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

    Jupyter Notebook 39 8

  2. allmetal3d allmetal3d Public

    Metal and Water prediction

    JavaScript 8

  3. perovskites-distortions perovskites-distortions Public

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

    Python 7 2

  4. iesm-public iesm-public Public

    Student Version of the Introduction to Electronic Structure course notebooks

    Jupyter Notebook 5 1

  5. evolve evolve Public

    Genetic Algorithm Toolbox for Protein and Enyzme Design

    Python 2

  6. mdmc-2020 mdmc-2020 Public

    Repository for the Molecular Dynamics and Monte Carlo Course

    Jupyter Notebook 2

Repositories

Showing 10 of 12 repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…