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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 1.7k 569

  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++ 211 146

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 933 149

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 9

  5. DeePTB DeePTB Public

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

    Python 84 22

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 37 24

Repositories

Showing 10 of 63 repositories
  • 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 1,737 LGPL-3.0 569 84 (2 issues need help) 32 Updated Sep 4, 2025
  • LAMBench Public

    A benchmark for Large Atomistic Models

    deepmodeling/LAMBench’s past year of commit activity
    Python 7 MIT 7 1 1 Updated Sep 4, 2025
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Sep 4, 2025
  • ABACUS-agent-tools Public

    MCP tools to connect LLMs and ABACUS jobs

    deepmodeling/ABACUS-agent-tools’s past year of commit activity
    Python 11 LGPL-3.0 7 0 0 Updated Sep 4, 2025
  • AI4S-agent-tools Public

    Collecting a variety of Agent-Ready tool modules

    deepmodeling/AI4S-agent-tools’s past year of commit activity
    Python 52 MIT 29 0 1 Updated Sep 4, 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++ 211 LGPL-3.0 185 151 4 Updated Sep 3, 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 356 LGPL-3.0 184 47 (1 issue needs help) 16 Updated Sep 3, 2025
  • dpdata Public

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

    deepmodeling/dpdata’s past year of commit activity
    Python 215 LGPL-3.0 151 26 (1 issue needs help) 22 Updated Sep 3, 2025
  • jax-fem Public

    Differentiable Finite Element Method with JAX

    deepmodeling/jax-fem’s past year of commit activity
    Python 480 GPL-3.0 81 33 2 Updated Sep 3, 2025
  • dpgui Public

    A web-based GUI for user inputs

    deepmodeling/dpgui’s past year of commit activity
    Vue 8 LGPL-3.0 5 0 7 Updated Sep 3, 2025
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