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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 273 59

  2. SIMPLE-NN SIMPLE-NN Public archive

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

    Python 48 22

  3. SIMPLE-NN_v2 SIMPLE-NN_v2 Public

    C++ 44 16

  4. AMP2 AMP2 Public

    Python 22 11

  5. G-metaD G-metaD Public

    Metadynamics code on the G-space.

    Python 16 5

  6. SPINNER SPINNER Public

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

    C++ 15 3

Repositories

Showing 10 of 11 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 273 MIT 59 19 (1 issue needs help) 1 Updated Jul 22, 2026
  • Paimon Public
    MDIL-SNU/Paimon's past year of commit activity
    Python 3 MIT 0 0 0 Updated Jun 9, 2026
  • G-metaD Public

    Metadynamics code on the G-space.

    MDIL-SNU/G-metaD's past year of commit activity
    Python 16 GPL-3.0 5 0 0 Updated Jan 14, 2026
  • SHERPA Public
    MDIL-SNU/SHERPA's past year of commit activity
    C 7 GPL-3.0 1 0 0 Updated Jan 2, 2026
  • sevennet_tutorial Public

    data or scripts for SevenNet tutorials

    MDIL-SNU/sevennet_tutorial's past year of commit activity
    Jupyter Notebook 6 2 1 0 Updated Sep 5, 2025
  • 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++ 15 GPL-3.0 3 1 0 Updated Jul 20, 2024
  • SIMPLE-NN_v2 Public
    MDIL-SNU/SIMPLE-NN_v2's past year of commit activity
    C++ 44 GPL-3.0 16 2 0 Updated Dec 29, 2023
  • TL-GeoCGNN Public
    MDIL-SNU/TL-GeoCGNN's past year of commit activity
    Python 1 0 0 0 Updated Nov 23, 2023
  • AMP2 Public
    MDIL-SNU/AMP2's past year of commit activity
    Python 22 11 1 4 Updated Aug 25, 2023
  • 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 48 GPL-3.0 22 4 0 Updated Jan 27, 2022

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