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  1. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.3k 652

  2. datreant/datreant datreant/datreant Public

    persistent, pythonic trees for heterogeneous data

    Python 32 7

  3. bio-phys/MDBenchmark bio-phys/MDBenchmark Public

    Quickly generate, start and analyze benchmarks for molecular dynamics simulations.

    Python 76 17

  4. bio-phys/pydiffusion bio-phys/pydiffusion Public

    Analyse Rotational Diffusion Tensor from MD Simulations

    Jupyter Notebook 16 4

  5. Checkmk/checkmk Checkmk/checkmk Public

    Checkmk - Best-in-class infrastructure & application monitoring

    Python 1.6k 466