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  1. lab-cosmo/librascal lab-cosmo/librascal Public

    A scalable and versatile library to generate representations for atomic-scale learning

    C++ 80 17

  2. velociraptor velociraptor Public

    Vector-scalar dipole regression

    Python 3 1

  3. libAtoms/QUIP libAtoms/QUIP Public

    libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io

    Fortran 351 122

  4. mv-plottools mv-plottools Public

    Custom Python plotting utilitites for matplotlib

    Python

  5. wessa-delay wessa-delay Public

    Implementation of the stochastic simulation algorithm (SSA) with weighted-ensemble resampling

    Jupyter Notebook 1

  6. lammps/lammps lammps/lammps Public

    Public development project of the LAMMPS MD software package

    C++ 2.3k 1.7k