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@deepmodeling

DeepModeling

Define the future of scientific computing together
README.md

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  1. deepmd-kit Public

    A deep learning package for many-body potential energy representation and molecular dynamics

    Python 1.6k 537

  2. abacus-develop Public

    Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 191 140

  3. Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 828 137

  4. GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 6

  5. DeePTB Public

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

    Python 73 18

  6. APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 32 23

Repositories

Showing 10 of 57 repositories
  • abacus-develop Public Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 191 LGPL-3.0 174 104 6 Updated Apr 13, 2025
  • .github Public
    0 3 0 1 Updated Apr 13, 2025
  • GPUMD Public Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 6 GPL-3.0 134 0 0 Updated Apr 12, 2025
  • deepmodeling-projects Public

    DeepModeling projects

    6 CC-BY-SA-4.0 2 0 1 Updated Apr 11, 2025
  • APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 32 LGPL-3.0 23 1 1 Updated Apr 10, 2025
  • deepmd-kit Public

    A deep learning package for many-body potential energy representation and molecular dynamics

    Python 1,617 LGPL-3.0 537 83 (2 issues need help) 13 Updated Apr 10, 2025
  • DMFF Public

    DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.

    Python 173 LGPL-3.0 46 11 6 Updated Apr 10, 2025
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    Python 86 LGPL-3.0 41 7 (1 issue needs help) 11 Updated Apr 9, 2025
  • DeePTB Public

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

    Python 73 LGPL-3.0 18 15 5 Updated Apr 9, 2025
  • dpdata Public

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

    Python 209 LGPL-3.0 139 20 (3 issues need help) 15 Updated Apr 9, 2025
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