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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 522

  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++ 179 138

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 748 132

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 4

  5. DeePTB DeePTB Public

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

    Python 59 16

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 25 20

Repositories

Showing 10 of 55 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Dec 25, 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++ 1,534 LGPL-3.0 522 80 (2 issues need help) 13 Updated Dec 25, 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++ 179 LGPL-3.0 169 129 7 Updated Dec 25, 2024
  • AIS-Square Public
    deepmodeling/AIS-Square’s past year of commit activity
    12 LGPL-3.0 8 5 1 Updated Dec 25, 2024
  • 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 317 LGPL-3.0 176 42 (1 issue needs help) 9 Updated Dec 24, 2024
  • dpdata Public

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

    deepmodeling/dpdata’s past year of commit activity
    Python 203 LGPL-3.0 135 19 (3 issues need help) 14 Updated Dec 24, 2024
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    deepmodeling/Uni-Mol’s past year of commit activity
    Python 748 MIT 132 79 1 Updated Dec 24, 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 59 LGPL-3.0 16 9 2 Updated Dec 24, 2024
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 70 LGPL-3.0 40 6 (1 issue needs help) 11 Updated Dec 23, 2024
  • dpti Public

    A Python Package to Automate Thermodynamic Integration Calculations for Free Energy

    deepmodeling/dpti’s past year of commit activity
    Python 22 LGPL-3.0 20 9 1 Updated Dec 23, 2024
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