Skip to content
@deepmodeling

DeepModeling

Define the future of scientific computing together
README.md

Pinned Loading

  1. deepmd-kit deepmd-kit Public

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

    C++ 1.5k 505

  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++ 168 129

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 684 120

  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 14, 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++ 168 LGPL-3.0 158 207 11 Updated Oct 14, 2024
  • GPUMD Public Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    deepmodeling/GPUMD’s past year of commit activity
    Cuda 3 GPL-3.0 120 0 0 Updated Oct 13, 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++ 1,466 LGPL-3.0 505 85 (2 issues need help) 12 Updated Oct 13, 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 151 LGPL-3.0 43 10 4 Updated Oct 13, 2024
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    deepmodeling/Uni-Mol’s past year of commit activity
    Python 684 MIT 120 67 0 Updated Oct 12, 2024
  • deepflame-dev Public Forked from deepflameCFD/deepflame-dev

    A deep learning empowered open-source platform for reacting flow simulations

    deepmodeling/deepflame-dev’s past year of commit activity
    C++ 135 GPL-3.0 67 18 0 Updated Oct 12, 2024
  • blog Public

    DeepModeling Blog

    deepmodeling/blog’s past year of commit activity
    TeX 1 LGPL-3.0 7 0 4 Updated Oct 11, 2024
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 65 LGPL-3.0 39 5 (1 issue needs help) 4 Updated Oct 11, 2024
  • APEX Public

    APEX: Alloy Properties EXplorer using simulations

    deepmodeling/APEX’s past year of commit activity
    Python 23 LGPL-3.0 18 0 1 Updated Oct 11, 2024
View all repositories

Top languages

Loading…