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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 1.7k 553

  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++ 200 141

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 884 142

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 7

  5. DeePTB DeePTB Public

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

    Python 77 19

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 34 23

Repositories

Showing 10 of 63 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Jun 18, 2025
  • ABACUS-agent-tools Public

    MCP tools to connect LLMs and ABACUS jobs

    deepmodeling/ABACUS-agent-tools’s past year of commit activity
    Python 10 LGPL-3.0 6 0 1 Updated Jun 18, 2025
  • blog Public

    DeepModeling Blog

    deepmodeling/blog’s past year of commit activity
    TeX 2 LGPL-3.0 9 0 6 Updated Jun 18, 2025
  • 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++ 200 LGPL-3.0 175 131 8 Updated Jun 18, 2025
  • dflow Public Forked from dptech-corp/dflow

    Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.

    deepmodeling/dflow’s past year of commit activity
    Python 71 LGPL-3.0 46 14 1 Updated Jun 17, 2025
  • 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 1,686 LGPL-3.0 553 84 (2 issues need help) 21 Updated Jun 17, 2025
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 88 LGPL-3.0 42 7 (1 issue needs help) 14 Updated Jun 17, 2025
  • deepmd-gnn Public

    DeePMD-kit plugin for various graph neural network models

    deepmodeling/deepmd-gnn’s past year of commit activity
    Python 46 LGPL-3.0 6 4 2 Updated Jun 17, 2025
  • args Public

    DeepModeling dargs arguments generation

    deepmodeling/args’s past year of commit activity
    Python 2 LGPL-3.0 2 0 2 Updated Jun 16, 2025
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    7 CC-BY-SA-4.0 2 0 5 Updated Jun 16, 2025
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