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  1. atomate atomate Public

    Forked from hackingmaterials/atomate

    atomate is a powerful software for computational materials science and contains pre-built workflows.

    Python

  2. deepmd-kit deepmd-kit Public

    Forked from deepmodeling/deepmd-kit

    A deep learning package for many-body potential energy representation and molecular dynamics

    C++

  3. dpdata dpdata Public

    Forked from deepmodeling/dpdata

    Manipulating DeePMD-kit, VASP, LAMMPS data formats.

    Python

  4. dpgen dpgen Public

    Forked from deepmodeling/dpgen

    The deep potential generator

    Python

  5. schnetpack schnetpack Public

    Forked from atomistic-machine-learning/schnetpack

    SchNetPack - Deep Neural Networks for Atomistic Systems

    Python

  6. tpot tpot Public

    Forked from EpistasisLab/tpot

    A Python Automated Machine Learning tool that optimizes machine learning pipelines using genetic programming.

    Python