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@moldyn

Biomolecular Dynamics

Group of Prof. Dr. G. Stock, University of Freiburg
README.md

Welcome at MolDyn Freiburg 👋

Understanding elementary life processes from first principles.

Working in theoretical biological physics in close collaboration with experimental groups, we are concerned with the theory and simulation of elementary biomolecular processes. In particular, we strive to design new multiscale simulation methods and develop novel strategies to reduce the complexity of nonequilibrium phenomena.

Checkout our website for a list of all publications 📚, fields of research :atom:🧬🔬, or to get in contact with us.

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  1. MoSAIC MoSAIC Public

    Correlation-based feature selection of Molecular Dynamics simulations

    Python 29 2

  2. Clustering Clustering Public

    Robust and stable clustering of molecular dynamics simulation trajectories.

    C++ 18 6

  3. dcTMD dcTMD Public

    Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.

    Python 15

  4. msmhelper msmhelper Public

    Helper function for Markov State Models

    Python 10 3

  5. FastPCA FastPCA Public

    Forked from lettis/FastPCA

    Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.

    C 10 2

  6. MSMPathfinder MSMPathfinder Public

    Finding pathways from an Markov State Model

    C++ 9 3

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