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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 508

  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++ 171 129

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 694 124

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 3

  5. DeePTB DeePTB Public

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

    Python 52 15

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 23 18

Repositories

Showing 10 of 55 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Oct 27, 2024
  • deepmodeling_sphinx Public

    Sphinx extension for DeepModeling projects

    deepmodeling/deepmodeling_sphinx’s past year of commit activity
    CSS 3 LGPL-3.0 7 0 2 Updated Oct 27, 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++ 1,478 LGPL-3.0 508 73 (2 issues need help) 21 Updated Oct 27, 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++ 171 LGPL-3.0 158 149 5 Updated Oct 25, 2024
  • GPUMD Public Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    deepmodeling/GPUMD’s past year of commit activity
    Cuda 3 GPL-3.0 120 0 0 Updated Oct 25, 2024
  • 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 63 LGPL-3.0 41 14 1 Updated Oct 25, 2024
  • APEX Public

    APEX: Alloy Properties EXplorer using simulations

    deepmodeling/APEX’s past year of commit activity
    Python 23 LGPL-3.0 18 0 1 Updated Oct 25, 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 Oct 24, 2024
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 67 LGPL-3.0 40 5 (1 issue needs help) 5 Updated Oct 24, 2024
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    deepmodeling/Uni-Mol’s past year of commit activity
    Python 694 MIT 124 69 0 Updated Oct 24, 2024
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