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MIR@Harvard

Materials Intelligence Group @ Harvard University

Popular repositories Loading

  1. nequip nequip Public

    NequIP is a code for building E(3)-equivariant interatomic potentials

    Python 637 139

  2. allegro allegro Public

    Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

    Python 347 46

  3. flare flare Public

    An open-source Python package for creating fast and accurate interatomic potentials.

    Python 292 71

  4. pair_nequip pair_nequip Public

    C++ 41 12

  5. flare_pp flare_pp Public

    A many-body extension of the FLARE code.

    C++ 35 7

  6. pair_allegro pair_allegro Public

    LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support

    C++ 35 8

Repositories

Showing 10 of 28 repositories
  • nequip Public

    NequIP is a code for building E(3)-equivariant interatomic potentials

    mir-group/nequip’s past year of commit activity
    Python 637 MIT 139 24 3 Updated Nov 18, 2024
  • allegro Public

    Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

    mir-group/allegro’s past year of commit activity
    Python 347 MIT 46 24 0 Updated Nov 16, 2024
  • CiderPress Public

    A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework

    mir-group/CiderPress’s past year of commit activity
    Python 6 GPL-3.0 2 0 1 Updated Nov 11, 2024
  • e3nn Public Forked from e3nn/e3nn

    A modular framework for neural networks with Euclidean symmetry

    mir-group/e3nn’s past year of commit activity
    Python 0 149 0 0 Updated Nov 5, 2024
  • flare Public

    An open-source Python package for creating fast and accurate interatomic potentials.

    mir-group/flare’s past year of commit activity
    Python 292 MIT 71 27 0 Updated Nov 1, 2024
  • pair_allegro Public

    LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support

    mir-group/pair_allegro’s past year of commit activity
    C++ 35 MIT 8 15 1 Updated Oct 21, 2024
  • orchard Public

    Fireworks-based workflow management for using and benchmarking ML/CIDER XC functionals.

    mir-group/orchard’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Sep 19, 2024
  • CiderPressLite Public

    "alpha" release of 2023 CIDER functionals, with interfaces to PySCF and GPAW

    mir-group/CiderPressLite’s past year of commit activity
    Python 5 GPL-3.0 1 0 0 Updated Aug 15, 2024
  • pair_nequip Public
    mir-group/pair_nequip’s past year of commit activity
    C++ 41 MIT 12 11 0 Updated Jun 6, 2024
  • CiderPress2022 Public

    Tools for training and evaluating CIDER functionals for use in Density Functional Theory calculations

    mir-group/CiderPress2022’s past year of commit activity
    Python 9 MIT 4 1 0 Updated Mar 5, 2024
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