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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 518

  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++ 177 137

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 735 130

  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 58 16

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 25 18

Repositories

Showing 10 of 55 repositories
  • 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++ 177 LGPL-3.0 168 130 5 Updated Dec 12, 2024
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Dec 12, 2024
  • blog Public

    DeepModeling Blog

    deepmodeling/blog’s past year of commit activity
    TeX 1 LGPL-3.0 8 0 0 Updated Dec 12, 2024
  • args Public

    DeepModeling dargs arguments generation

    deepmodeling/args’s past year of commit activity
    Python 2 LGPL-3.0 2 0 0 Updated Dec 12, 2024
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    deepmodeling/Uni-Mol’s past year of commit activity
    Python 735 MIT 130 76 0 Updated Dec 11, 2024
  • AIS-Square Public
    deepmodeling/AIS-Square’s past year of commit activity
    12 LGPL-3.0 8 5 1 Updated Dec 11, 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++ 1,528 LGPL-3.0 518 76 (2 issues need help) 12 Updated Dec 10, 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 314 LGPL-3.0 176 39 (1 issue needs help) 9 Updated Dec 10, 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) 10 Updated Dec 10, 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 8 1 Updated Dec 9, 2024
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