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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 508

  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 689 122

  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 51 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 22, 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 22, 2024
  • 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 301 LGPL-3.0 174 36 (1 issue needs help) 10 Updated Oct 21, 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-3.0 508 82 (2 issues need help) 20 Updated Oct 21, 2024
  • dpgui Public

    A web-based GUI for user inputs

    deepmodeling/dpgui’s past year of commit activity
    Vue 7 LGPL-3.0 5 0 9 Updated Oct 22, 2024
  • dpti Public

    A Python Package to Automate Thermodynamic Integration Calculations for Free Energy

    deepmodeling/dpti’s past year of commit activity
    Python 21 LGPL-3.0 20 8 1 Updated Oct 22, 2024
  • dargs Public

    Argument processing for the deep modeling project.

    deepmodeling/dargs’s past year of commit activity
    Python 5 LGPL-3.0 3 2 1 Updated Oct 22, 2024
  • 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 42 LGPL-3.0 57 16 (1 issue needs help) 4 Updated Oct 21, 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 20 (3 issues need help) 17 Updated Oct 22, 2024
  • deepmodeling_sphinx Public

    Sphinx extension for DeepModeling projects

    deepmodeling/deepmodeling_sphinx’s past year of commit activity
    CSS 3 LGPL-3.0 7 0 3 Updated Oct 21, 2024
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