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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 548

  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++ 193 140

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 859 141

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 7

  5. DeePTB DeePTB Public

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

    Python 75 19

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 33 23

Repositories

Showing 10 of 59 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated May 21, 2025
  • 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 1,658 LGPL-3.0 548 87 (2 issues need help) 17 Updated May 21, 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 337 LGPL-3.0 179 43 (1 issue needs help) 10 Updated May 21, 2025
  • LAMBench Public

    A benchmark for Large Atomic Models

    deepmodeling/LAMBench’s past year of commit activity
    Python 3 MIT 4 1 0 Updated May 21, 2025
  • dpdata Public

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

    deepmodeling/dpdata’s past year of commit activity
    Python 209 LGPL-3.0 139 22 (3 issues need help) 15 Updated May 21, 2025
  • community Public

    DeepModeling community content

    deepmodeling/community’s past year of commit activity
    88 23 0 4 Updated May 21, 2025
  • blog Public

    DeepModeling Blog

    deepmodeling/blog’s past year of commit activity
    TeX 2 LGPL-3.0 10 0 4 Updated May 21, 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.

    deepmodeling/dflow’s past year of commit activity
    Python 71 LGPL-3.0 46 14 1 Updated May 20, 2025
  • dpti Public

    A Python Package to Automate Thermodynamic Integration Calculations for Free Energy

    deepmodeling/dpti’s past year of commit activity
    Python 27 LGPL-3.0 20 9 2 Updated May 20, 2025
  • dpdispatcher Public

    generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

    deepmodeling/dpdispatcher’s past year of commit activity
    Python 51 LGPL-3.0 56 19 (2 issues need help) 3 Updated May 19, 2025
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