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@deepmodeling

DeepModeling

Define the future of scientific computing together
README.md

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  1. deepmd-kit Public

    A deep learning package for many-body potential energy representation and molecular dynamics

    Python 1.6k 536

  2. 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 Public

    Official Repository for the Uni-Mol Series Methods

    Python 820 136

  4. GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 5

  5. DeePTB Public

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

    Python 68 17

  6. APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 29 23

Repositories

Showing 10 of 57 repositories
  • abacus-develop Public Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 189 LGPL-3.0 173 96 3 Updated Mar 28, 2025
  • .github Public
    0 3 0 1 Updated Mar 28, 2025
  • deepmd-kit Public

    A deep learning package for many-body potential energy representation and molecular dynamics

    Python 1,609 LGPL-3.0 536 82 (2 issues need help) 15 Updated Mar 28, 2025
  • deepmd-gnn Public

    DeePMD-kit plugin for various graph neural network models

    Python 33 LGPL-3.0 6 3 2 Updated Mar 28, 2025
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 820 MIT 136 90 0 Updated Mar 28, 2025
  • deepmodeling-projects Public

    DeepModeling projects

    4 CC-BY-SA-4.0 2 0 1 Updated Mar 28, 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.

    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

    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

    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

    Python 24 LGPL-3.0 20 9 2 Updated Mar 24, 2025
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