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MDIL-SNU

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  1. SevenNet SevenNet Public

    SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.

    Python 133 17

  2. SIMPLE-NN SIMPLE-NN Public archive

    SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)

    Python 47 23

  3. SIMPLE-NN_v2 SIMPLE-NN_v2 Public

    C++ 41 18

  4. AMP2 AMP2 Public

    Python 20 11

  5. G-metaD G-metaD Public

    Metadynamics code on the G-space.

    C++ 14 4

  6. SPINNER SPINNER Public

    SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)

    C++ 12 2

Repositories

Showing 10 of 10 repositories
  • SevenNet Public

    SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.

    MDIL-SNU/SevenNet’s past year of commit activity
    Python 133 GPL-3.0 17 7 (2 issues need help) 1 Updated Nov 27, 2024
  • SHERPA Public
    MDIL-SNU/SHERPA’s past year of commit activity
    C 1 GPL-3.0 1 0 0 Updated Nov 27, 2024
  • sevennet_tutorial Public

    data or scripts for SevenNet tutorials

    MDIL-SNU/sevennet_tutorial’s past year of commit activity
    Jupyter Notebook 2 0 0 0 Updated Nov 9, 2024
  • SPINNER Public

    SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)

    MDIL-SNU/SPINNER’s past year of commit activity
    C++ 12 GPL-3.0 2 1 0 Updated Jul 20, 2024
  • SIMPLE-NN_v2 Public
    MDIL-SNU/SIMPLE-NN_v2’s past year of commit activity
    C++ 41 GPL-3.0 18 4 0 Updated Dec 29, 2023
  • TL-GeoCGNN Public
    MDIL-SNU/TL-GeoCGNN’s past year of commit activity
    Python 0 0 0 0 Updated Nov 23, 2023
  • AMP2 Public
    MDIL-SNU/AMP2’s past year of commit activity
    Python 20 11 1 3 Updated Aug 25, 2023
  • G-metaD Public

    Metadynamics code on the G-space.

    MDIL-SNU/G-metaD’s past year of commit activity
    C++ 14 GPL-3.0 4 0 0 Updated Mar 19, 2022
  • SIMPLE-NN Public archive

    SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)

    MDIL-SNU/SIMPLE-NN’s past year of commit activity
    Python 47 GPL-3.0 23 4 0 Updated Jan 27, 2022
  • utility Public

    Lab utility

    MDIL-SNU/utility’s past year of commit activity
    Python 1 1 0 0 Updated May 14, 2019

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