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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 2k 651

  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++ 294 249

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 1.2k 181

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 13

  5. DeePTB DeePTB Public

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

    Python 122 36

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 48 36

Repositories

Showing 10 of 67 repositories
  • dpnegf Public

    A NEGF Python package compatible to DeePTB method for efficient quantum transport simulations

    deepmodeling/dpnegf's past year of commit activity
    Python 8 LGPL-3.0 3 0 6 Updated Sep 20, 2026
  • .github Public
    deepmodeling/.github's past year of commit activity
    0 4 0 1 Updated Sep 20, 2026
  • jax-fem Public

    Differentiable Finite Element Method with JAX

    deepmodeling/jax-fem's past year of commit activity
    Python 759 GPL-3.0 132 23 4 Updated Sep 20, 2026
  • GPUMD Public Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    deepmodeling/GPUMD's past year of commit activity
    Cuda 13 GPL-3.0 208 0 0 Updated Sep 19, 2026
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator's past year of commit activity
    Python 103 LGPL-3.0 46 7 (1 issue needs help) 7 Updated Sep 19, 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++ 294 LGPL-3.0 304 242 10 Updated Sep 19, 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 2,049 LGPL-3.0 651 164 (1 issue needs help) 52 Updated Sep 19, 2026
  • Uni-Lab-OS Public

    A Platform for Laboratory Automation.

    deepmodeling/Uni-Lab-OS's past year of commit activity
    Python 178 GPL-3.0 75 11 34 Updated Sep 18, 2026
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects's past year of commit activity
    8 CC-BY-SA-4.0 3 0 47 Updated Sep 18, 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 399 LGPL-3.0 197 7 5 Updated Sep 17, 2026
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