Skip to content
@mir-group

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 829 186

  2. allegro allegro Public

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

    Python 444 70

  3. flare flare Public

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

    Python 340 78

  4. pair_nequip_allegro pair_nequip_allegro Public

    LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials

    C++ 59 11

  5. pair_nequip pair_nequip Public

    Deprecated - see `pair_nequip_allegro`

    C++ 44 14

  6. flare_pp flare_pp Public

    A many-body extension of the FLARE code.

    C++ 38 7

Repositories

Showing 10 of 33 repositories
  • mir-group/nequip-tutorial’s past year of commit activity
    Jupyter Notebook 0 MIT 2 0 0 Updated Dec 2, 2025
  • nequip Public

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

    mir-group/nequip’s past year of commit activity
    Python 829 MIT 186 6 2 Updated Dec 1, 2025
  • mir-group/nequip-infra-paper-scripts’s past year of commit activity
    Python 1 0 0 0 Updated Nov 26, 2025
  • 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 15 GPL-3.0 3 0 3 Updated Nov 24, 2025
  • 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 444 MIT 70 3 0 Updated Nov 22, 2025
  • labutil Public Forked from bkoz37/labutil

    Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling

    mir-group/labutil’s past year of commit activity
    Python 0 MIT 12 0 0 Updated Oct 7, 2025
  • pair_nequip_allegro Public

    LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials

    mir-group/pair_nequip_allegro’s past year of commit activity
    C++ 59 MIT 11 6 0 Updated Sep 19, 2025
  • flare Public

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

    mir-group/flare’s past year of commit activity
    Python 340 MIT 78 32 2 Updated Sep 8, 2025
  • nequip-extension-template Public template

    This repo serves as a minimal template for `nequip` extension packages.

    mir-group/nequip-extension-template’s past year of commit activity
    Python 3 0 0 0 Updated Aug 29, 2025
  • allegro-pol Public
    mir-group/allegro-pol’s past year of commit activity
    Python 27 MIT 2 5 0 Updated Jul 8, 2025

People

This organization has no public members. You must be a member to see who’s a part of this organization.