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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 1.9k 598

  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++ 250 152

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 1.1k 167

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 11

  5. DeePTB DeePTB Public

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

    Python 102 29

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 42 32

Repositories

Showing 10 of 67 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Mar 10, 2026
  • 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 1,887 LGPL-3.0 598 98 (2 issues need help) 34 Updated Mar 10, 2026
  • Uni-Lab-OS Public

    A Platform for Laboratory Automation.

    deepmodeling/Uni-Lab-OS’s past year of commit activity
    Python 130 GPL-3.0 46 5 14 Updated Mar 10, 2026
  • LAMBench Public

    A benchmark for Large Atomistic Models

    deepmodeling/LAMBench’s past year of commit activity
    Python 15 MIT 8 1 1 Updated Mar 10, 2026
  • 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++ 250 LGPL-3.0 194 193 3 Updated Mar 10, 2026
  • dpnegf Public

    A NEGF Python package compatible to DeePTB method for efficient quantum transport simulations

    deepmodeling/dpnegf’s past year of commit activity
    Python 1 LGPL-3.0 2 1 5 Updated Mar 10, 2026
  • DeePTB Public

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

    deepmodeling/DeePTB’s past year of commit activity
    Python 102 LGPL-3.0 29 18 11 Updated Mar 9, 2026
  • dpti Public

    A Python Package to Automate Thermodynamic Integration Calculations for Free Energy

    deepmodeling/dpti’s past year of commit activity
    Python 32 LGPL-3.0 23 9 7 Updated Mar 10, 2026
  • deepmodeling_sphinx Public

    Sphinx extension for DeepModeling projects

    deepmodeling/deepmodeling_sphinx’s past year of commit activity
    CSS 3 LGPL-3.0 6 0 4 Updated Mar 9, 2026
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 95 LGPL-3.0 44 8 (1 issue needs help) 15 Updated Mar 10, 2026
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