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@deepmodeling

DeepModeling

Define the future of scientific computing together
README.md

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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 504

  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++ 165 129

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 674 119

  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 47 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 30, 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++ 165 LGPL-3.0 158 213 8 Updated Sep 30, 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 298 LGPL-3.0 173 36 (1 issue needs help) 9 Updated Sep 29, 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 100 LGPL-3.0 35 5 1 Updated Sep 28, 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++ 1,459 LGPL-3.0 504 86 (2 issues need help) 10 Updated Sep 28, 2024
  • dftio Public

    dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning models.

    deepmodeling/dftio’s past year of commit activity
    Jupyter Notebook 5 MIT 4 2 1 Updated Sep 27, 2024
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 65 LGPL-3.0 38 5 (1 issue needs help) 9 Updated Sep 26, 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 26, 2024
  • community Public

    DeepModeling community content

    deepmodeling/community’s past year of commit activity
    82 21 0 2 Updated Sep 26, 2024
  • jax-fem Public

    Differentiable Finite Element Method with JAX

    deepmodeling/jax-fem’s past year of commit activity
    Python 248 GPL-3.0 40 20 2 Updated Sep 26, 2024
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