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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 1.9k 599

  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++ 251 152

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 1.1k 167

  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 102 29

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 42 32

Repositories

Showing 10 of 67 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Mar 13, 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 1,892 LGPL-3.0 599 98 (2 issues need help) 34 Updated Mar 13, 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++ 251 LGPL-3.0 194 198 6 Updated Mar 13, 2026
  • ABACUS-agent-tools Public

    MCP tools to connect LLMs and ABACUS jobs

    deepmodeling/ABACUS-agent-tools’s past year of commit activity
    Python 19 LGPL-3.0 12 1 4 Updated Mar 12, 2026
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    8 CC-BY-SA-4.0 2 0 23 Updated Mar 12, 2026
  • GPUMD Public Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    deepmodeling/GPUMD’s past year of commit activity
    Cuda 11 GPL-3.0 179 0 0 Updated Mar 12, 2026
  • Uni-Lab-OS Public

    A Platform for Laboratory Automation.

    deepmodeling/Uni-Lab-OS’s past year of commit activity
    Python 131 GPL-3.0 47 5 17 Updated Mar 12, 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 102 LGPL-3.0 29 18 7 Updated Mar 11, 2026
  • LAMBench Public

    A benchmark for Large Atomistic Models

    deepmodeling/LAMBench’s past year of commit activity
    Python 16 MIT 8 1 1 Updated Mar 11, 2026
  • tutorials Public

    Tutorials for DeepModeling projects.

    deepmodeling/tutorials’s past year of commit activity
    Python 16 23 1 3 Updated Mar 11, 2026
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