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  1. traincraft traincraft Public

    Atomic Dataset Generator for training ML potentials

    Python 1

  2. traincraft-tk traincraft-tk Public

    Toolkit for performing frequent tasks while working with electronic structure calculation files

    Python

  3. kmc2D kmc2D Public

    Fortran

  4. kmc1D kmc1D Public

    Fortran

  5. AFMPlot AFMPlot Public

    Python

  6. simgen simgen Public

    Forked from RokasEl/simgen

    Zero Shot Molecular Generation via Similarity Kernels

    Python