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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 1.6k 537

  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++ 191 141

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 827 136

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 6

  5. DeePTB DeePTB Public

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

    Python 71 17

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 32 23

Repositories

Showing 10 of 57 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Apr 9, 2025
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 86 LGPL-3.0 41 7 (1 issue needs help) 11 Updated Apr 9, 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++ 191 LGPL-3.0 175 105 4 Updated Apr 9, 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 1,618 LGPL-3.0 537 83 (2 issues need help) 13 Updated Apr 9, 2025
  • DeePTB Public

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

    deepmodeling/DeePTB’s past year of commit activity
    Python 71 LGPL-3.0 17 15 5 Updated Apr 9, 2025
  • dpdata Public

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

    deepmodeling/dpdata’s past year of commit activity
    Python 208 LGPL-3.0 139 20 (3 issues need help) 15 Updated Apr 9, 2025
  • 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 335 LGPL-3.0 178 44 (1 issue needs help) 10 Updated Apr 9, 2025
  • 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 8 MIT 4 1 0 Updated Apr 8, 2025
  • blog Public

    DeepModeling Blog

    deepmodeling/blog’s past year of commit activity
    TeX 2 LGPL-3.0 8 0 4 Updated Apr 8, 2025
  • APEX Public

    APEX: Alloy Properties EXplorer using simulations

    deepmodeling/APEX’s past year of commit activity
    Python 32 LGPL-3.0 23 1 2 Updated Apr 8, 2025
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