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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 590

  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++ 244 152

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 1.1k 163

  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 100 28

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 42 29

Repositories

Showing 10 of 67 repositories
  • 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 1,873 LGPL-3.0 590 89 (2 issues need help) 41 Updated Feb 10, 2026
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Feb 10, 2026
  • Uni-Lab-OS Public

    A Platform for Laboratory Automation.

    deepmodeling/Uni-Lab-OS’s past year of commit activity
    Python 121 GPL-3.0 41 5 12 Updated Feb 10, 2026
  • dpdata Public

    A Python package for manipulating atomistic data of software in computational science

    deepmodeling/dpdata’s past year of commit activity
    Python 243 LGPL-3.0 152 27 (1 issue needs help) 23 Updated Feb 10, 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 379 LGPL-3.0 187 37 (1 issue needs help) 11 Updated Feb 10, 2026
  • sciencepedia Public
    deepmodeling/sciencepedia’s past year of commit activity
    105 22 8 0 Updated Feb 10, 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++ 244 LGPL-3.0 194 192 6 Updated Feb 10, 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 100 LGPL-3.0 28 18 7 Updated Feb 9, 2026
  • dpti Public

    A Python Package to Automate Thermodynamic Integration Calculations for Free Energy

    deepmodeling/dpti’s past year of commit activity
    Python 31 LGPL-3.0 23 9 7 Updated Feb 9, 2026
  • dpgui Public

    A web-based GUI for user inputs

    deepmodeling/dpgui’s past year of commit activity
    Vue 8 LGPL-3.0 5 0 10 Updated Feb 9, 2026
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