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@deepmodeling

DeepModeling

Define the future of scientific computing together
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  1. deepmd-kit Public

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

    Python 1.6k 534

  2. abacus-develop Public

    Forked from abacusmodeling/abacus-develop

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

    C++ 188 140

  3. Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 812 136

  4. GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 5

  5. DeePTB Public

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

    Python 67 17

  6. APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 28 23

Repositories

Showing 10 of 57 repositories
  • .github Public
    0 3 0 1 Updated Mar 20, 2025
  • deepmd-kit Public

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

    Python 1,604 LGPL-3.0 534 81 (2 issues need help) 15 Updated Mar 20, 2025
  • dpdata Public

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

    Python 207 LGPL-3.0 138 20 (3 issues need help) 15 Updated Mar 20, 2025
  • DeePTB Public

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

    Python 67 LGPL-3.0 17 14 3 Updated Mar 20, 2025
  • deepmd-gnn Public

    DeePMD-kit plugin for various graph neural network models

    Python 32 LGPL-3.0 6 3 1 Updated Mar 20, 2025
  • abacus-develop Public Forked from abacusmodeling/abacus-develop

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

    C++ 188 LGPL-3.0 172 93 8 Updated Mar 19, 2025
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    Python 83 LGPL-3.0 41 7 (1 issue needs help) 11 Updated Mar 18, 2025
  • jax-fem Public

    Differentiable Finite Element Method with JAX

    Python 355 GPL-3.0 54 28 2 Updated Mar 18, 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.

    Python 68 LGPL-3.0 45 14 1 Updated Mar 18, 2025
  • dpgen2 Public Forked from dptech-corp/dpgen2

    2nd generation of the Deep Potential GENerator

    Python 36 LGPL-3.0 32 11 5 Updated Mar 18, 2025
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