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  1. pantea pantea Public

    A Python package for developing machine learning interatomic potentials, based on JAX.

    Python 2

  2. raspi-hpc-cluster raspi-hpc-cluster Public

    A repo for setting up a test but scalable HPC cluster using Raspberry Pi.

    Lua 3

  3. nnp nnp Public

    An experimental C++ implementation of high-dminesional neural network potential (HDNNP) for molecular dynamics simulations.

    C++ 3

  4. graphene-nnp graphene-nnp Public

    Interatomic potential development for the monolayer graphene using high-dimensional neutral network.

    Python 1