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@deepmodeling

DeepModeling

Define the future of scientific computing together
README.md

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  1. deepmd-kit deepmd-kit Public

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

    Python 1.8k 582

  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++ 238 148

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 1k 159

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 11

  5. DeePTB DeePTB Public

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

    Python 96 26

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 41 28

Repositories

Showing 10 of 67 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Jan 5, 2026
  • DeePTB Public

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

    deepmodeling/DeePTB’s past year of commit activity
    Python 96 LGPL-3.0 26 18 7 Updated Jan 5, 2026
  • abacus-develop Public Forked from abacusmodeling/abacus-develop

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

    deepmodeling/abacus-develop’s past year of commit activity
    C++ 238 LGPL-3.0 190 186 9 Updated Jan 5, 2026
  • 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++ 199 GPL-3.0 83 26 0 Updated Jan 5, 2026
  • LAMBench Public

    A benchmark for Large Atomistic Models

    deepmodeling/LAMBench’s past year of commit activity
    Python 14 MIT 7 1 1 Updated Jan 5, 2026
  • Uni-Lab-OS Public

    A Platform for Laboratory Automation.

    deepmodeling/Uni-Lab-OS’s past year of commit activity
    Python 108 GPL-3.0 38 5 9 Updated Jan 4, 2026
  • sciencepedia Public
    deepmodeling/sciencepedia’s past year of commit activity
    94 18 8 0 Updated Jan 4, 2026
  • CrystalFormer-CSP Public
    deepmodeling/CrystalFormer-CSP’s past year of commit activity
    Jupyter Notebook 4 Apache-2.0 0 0 0 Updated Jan 4, 2026
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    8 CC-BY-SA-4.0 2 0 16 Updated Jan 3, 2026
  • 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 372 LGPL-3.0 184 35 (1 issue needs help) 11 Updated Jan 3, 2026
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