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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 558

  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++ 207 146

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 909 143

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 9

  5. DeePTB DeePTB Public

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

    Python 83 21

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 36 24

Repositories

Showing 10 of 63 repositories
  • LAMBench Public

    A benchmark for Large Atomic Models

    deepmodeling/LAMBench’s past year of commit activity
    Python 6 MIT 7 1 0 Updated Jul 22, 2025
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Jul 22, 2025
  • 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++ 182 GPL-3.0 80 22 1 Updated Jul 22, 2025
  • AIS-Square Public
    deepmodeling/AIS-Square’s past year of commit activity
    13 LGPL-3.0 8 5 1 Updated Jul 22, 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++ 207 LGPL-3.0 181 136 2 Updated Jul 22, 2025
  • AI4S-agent-tools Public

    Collecting a variety of Agent-Ready tool modules

    deepmodeling/AI4S-agent-tools’s past year of commit activity
    Python 24 MIT 13 0 0 Updated Jul 22, 2025
  • blog Public

    DeepModeling Blog

    deepmodeling/blog’s past year of commit activity
    TeX 3 LGPL-3.0 9 0 6 Updated Jul 21, 2025
  • dpti Public

    A Python Package to Automate Thermodynamic Integration Calculations for Free Energy

    deepmodeling/dpti’s past year of commit activity
    Python 29 LGPL-3.0 20 9 2 Updated Jul 21, 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 1,711 LGPL-3.0 558 85 (2 issues need help) 13 Updated Jul 21, 2025
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 90 LGPL-3.0 42 7 (1 issue needs help) 7 Updated Jul 21, 2025
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