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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 499

  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++ 164 128

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 669 118

  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 46 15

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 21 18

Repositories

Showing 10 of 55 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Sep 20, 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++ 164 LGPL-3.0 156 216 17 Updated Sep 20, 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 62 LGPL-3.0 41 14 1 Updated Sep 20, 2024
  • community Public

    DeepModeling community content

    deepmodeling/community’s past year of commit activity
    82 21 0 3 Updated Sep 20, 2024
  • dpdata Public

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

    deepmodeling/dpdata’s past year of commit activity
    Python 195 LGPL-3.0 130 18 (3 issues need help) 14 Updated Sep 20, 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++ 1,451 LGPL-3.0 499 84 (2 issues need help) 8 Updated Sep 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 Sep 19, 2024
  • deepks-kit Public

    a package for developing machine learning-based chemically accurate energy and density functional models

    deepmodeling/deepks-kit’s past year of commit activity
    Python 98 LGPL-3.0 35 5 1 Updated Sep 19, 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 46 LGPL-3.0 15 7 1 Updated Sep 19, 2024
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 64 LGPL-3.0 38 5 (1 issue needs help) 9 Updated Sep 19, 2024
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