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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

    C++ 1.5k 520

  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++ 178 138

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 746 132

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 4

  5. DeePTB DeePTB Public

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

    Python 58 16

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 25 20

Repositories

Showing 10 of 55 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Dec 22, 2024
  • 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
    C++ 1,532 LGPL-3.0 520 77 (2 issues need help) 13 Updated Dec 22, 2024
  • dftio Public

    dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning models.

    deepmodeling/dftio’s past year of commit activity
    Jupyter Notebook 6 MIT 4 1 0 Updated Dec 21, 2024
  • DeePDih Public

    Deep Potential driven molecular dihedral scan toolkit

    deepmodeling/DeePDih’s past year of commit activity
    Python 5 MIT 3 0 0 Updated Dec 21, 2024
  • DeePTB Public

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

    deepmodeling/DeePTB’s past year of commit activity
    Python 58 LGPL-3.0 16 9 3 Updated Dec 21, 2024
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    deepmodeling/Uni-Mol’s past year of commit activity
    Python 746 MIT 132 79 1 Updated Dec 20, 2024
  • blog Public

    DeepModeling Blog

    deepmodeling/blog’s past year of commit activity
    TeX 1 LGPL-3.0 8 0 0 Updated Dec 20, 2024
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    3 CC-BY-SA-4.0 2 0 0 Updated Dec 19, 2024
  • 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++ 178 LGPL-3.0 169 133 5 Updated Dec 19, 2024
  • 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 316 LGPL-3.0 176 42 (1 issue needs help) 10 Updated Dec 17, 2024
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