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@deepmodeling

DeepModeling

Define the future of scientific computing together
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  1. deepmd-kit deepmd-kit Public

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

    Python 1.7k 549

  2. abacus-develop abacus-develop Public

    Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 195 141

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 866 142

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 7

  5. DeePTB DeePTB Public

    DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.

    Python 75 19

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 33 23

Repositories

Showing 10 of 62 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated May 28, 2025
  • deepmd-kit Public

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

    deepmodeling/deepmd-kit’s past year of commit activity
    Python 1,665 LGPL-3.0 549 86 (2 issues need help) 17 Updated May 27, 2025
  • build-your-agent Public

    An open project initiated by the DeepModeling community focused on constructing intelligent agents for scientific research. It is committed to assembling a reusable and extensible set of Agent-Ready tools, promoting the development and practical deployment of research agents through open collaboration.

    deepmodeling/build-your-agent’s past year of commit activity
    Python 3 MIT 0 0 1 Updated May 27, 2025
  • dpgen Public

    The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

    deepmodeling/dpgen’s past year of commit activity
    Python 338 LGPL-3.0 179 46 (1 issue needs help) 11 Updated May 27, 2025
  • community Public

    DeepModeling community content

    deepmodeling/community’s past year of commit activity
    88 23 0 4 Updated May 27, 2025
  • dpgui Public

    A web-based GUI for user inputs

    deepmodeling/dpgui’s past year of commit activity
    Vue 8 LGPL-3.0 5 0 7 Updated May 27, 2025
  • AI4S-agent-tools Public

    Collecting a variety of Agent-Ready tool modules

    deepmodeling/AI4S-agent-tools’s past year of commit activity
    Python 2 MIT 2 0 2 Updated May 27, 2025
  • deepflame-dev Public Forked from deepflameCFD/deepflame-dev

    A deep learning empowered open-source platform for reacting flow simulations

    deepmodeling/deepflame-dev’s past year of commit activity
    C++ 170 GPL-3.0 78 21 1 Updated May 27, 2025
  • unimol_tools Public
    deepmodeling/unimol_tools’s past year of commit activity
    Python 5 MIT 0 0 0 Updated May 27, 2025
  • LAMBench Public

    A benchmark for Large Atomic Models

    deepmodeling/LAMBench’s past year of commit activity
    Python 5 MIT 4 1 0 Updated May 27, 2025
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