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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 535

  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++ 189 140

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 820 136

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 5

  5. DeePTB DeePTB Public

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

    Python 68 17

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 29 23

Repositories

Showing 10 of 57 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Mar 27, 2025
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    4 CC-BY-SA-4.0 2 0 2 Updated Mar 27, 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++ 189 LGPL-3.0 173 97 6 Updated Mar 27, 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 1,609 LGPL-3.0 535 81 (2 issues need help) 13 Updated Mar 26, 2025
  • 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 68 LGPL-3.0 45 14 1 Updated Mar 26, 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 330 LGPL-3.0 177 45 (1 issue needs help) 10 Updated Mar 25, 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 Mar 25, 2025
  • dpti Public

    A Python Package to Automate Thermodynamic Integration Calculations for Free Energy

    deepmodeling/dpti’s past year of commit activity
    Python 24 LGPL-3.0 20 9 2 Updated Mar 24, 2025
  • deepmodeling_sphinx Public

    Sphinx extension for DeepModeling projects

    deepmodeling/deepmodeling_sphinx’s past year of commit activity
    CSS 3 LGPL-3.0 7 0 3 Updated Mar 24, 2025
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 84 LGPL-3.0 41 7 (1 issue needs help) 11 Updated Mar 24, 2025
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