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@deepmodeling

DeepModeling

Define the future of scientific computing together
README.md

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  1. deepmd-kit deepmd-kit Public

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

    C++ 1.5k 507

  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++ 170 129

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 689 121

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 3

  5. DeePTB DeePTB Public

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

    Python 49 15

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 23 18

Repositories

Showing 10 of 55 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Oct 21, 2024
  • 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++ 170 LGPL-3.0 158 165 10 Updated Oct 21, 2024
  • dpgen2 Public Forked from dptech-corp/dpgen2

    2nd generation of the Deep Potential GENerator

    deepmodeling/dpgen2’s past year of commit activity
    Python 33 LGPL-3.0 26 9 2 Updated Oct 21, 2024
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    deepmodeling/Uni-Mol’s past year of commit activity
    Python 689 MIT 121 67 0 Updated Oct 21, 2024
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 67 LGPL-3.0 40 5 (1 issue needs help) 5 Updated Oct 20, 2024
  • 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
    C++ 1,472 LGPL-3.0 507 81 (2 issues need help) 18 Updated Oct 20, 2024
  • DMFF Public

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

    deepmodeling/DMFF’s past year of commit activity
    Python 152 LGPL-3.0 43 10 3 Updated Oct 19, 2024
  • 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 63 LGPL-3.0 41 14 1 Updated Oct 18, 2024
  • dpdata Public

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

    deepmodeling/dpdata’s past year of commit activity
    Python 196 LGPL-3.0 132 19 (3 issues need help) 16 Updated Oct 17, 2024
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    3 CC-BY-SA-4.0 2 0 0 Updated Oct 17, 2024
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