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Achievement: Pull Sharkx2Achievement: Pair Extraordinaire
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Achievement: Pull Sharkx2Achievement: Pair Extraordinaire
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Pinned

  1. scikit-learn-contrib/scikit-matter scikit-learn-contrib/scikit-matter Public

    A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities

    Python 69 17

  2. pair_potentials pair_potentials Public

    A tutorial on how to create LAMMPS-style pair potentials and use them in combination with GAP potentials to run MD simulations.

    Jupyter Notebook 3

  3. lab-cosmo/metatensor lab-cosmo/metatensor Public

    Self-describing sparse tensor data format for atomistic machine learning and beyond

    Python 42 14

  4. ceriottm/iam-notebooks ceriottm/iam-notebooks Public

    Jupyter notebooks for the lectures of the Introduction to Atomistic Modeling

    Jupyter Notebook 23 5

  5. genpot genpot Public

    Jupyter Notebook

  6. meyresearch/ML_bind meyresearch/ML_bind Public

    Jupyter Notebook 1