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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 1.8k 583

  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++ 239 148

  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 97 26

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 41 28

Repositories

Showing 10 of 67 repositories
  • Uni-Lab-OS Public

    A Platform for Laboratory Automation.

    deepmodeling/Uni-Lab-OS’s past year of commit activity
    Python 110 GPL-3.0 38 5 10 Updated Jan 8, 2026
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Jan 8, 2026
  • 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 1,836 LGPL-3.0 583 86 (2 issues need help) 36 Updated Jan 8, 2026
  • ABACUS-agent-tools Public

    MCP tools to connect LLMs and ABACUS jobs

    deepmodeling/ABACUS-agent-tools’s past year of commit activity
    Python 18 LGPL-3.0 9 0 0 Updated Jan 8, 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++ 239 LGPL-3.0 190 187 4 Updated Jan 7, 2026
  • LAMBench Public

    A benchmark for Large Atomistic Models

    deepmodeling/LAMBench’s past year of commit activity
    Python 14 MIT 7 1 0 Updated Jan 7, 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 97 LGPL-3.0 26 18 8 Updated Jan 6, 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++ 198 GPL-3.0 83 26 0 Updated Jan 5, 2026
  • sciencepedia Public
    deepmodeling/sciencepedia’s past year of commit activity
    95 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
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