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    • SevenNet

      Public
      SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
      Python
      MIT License
      55243132Updated Apr 29, 2026Apr 29, 2026
    • G-metaD

      Public
      Metadynamics code on the G-space.
      Python
      GNU General Public License v3.0
      51600Updated Jan 14, 2026Jan 14, 2026
    • SHERPA

      Public
      C
      GNU General Public License v3.0
      1700Updated Jan 2, 2026Jan 2, 2026
    • data or scripts for SevenNet tutorials
      Jupyter Notebook
      2510Updated Sep 5, 2025Sep 5, 2025
    • SPINNER

      Public
      SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
      C++
      GNU General Public License v3.0
      31510Updated Jul 20, 2024Jul 20, 2024
    • C++
      GNU General Public License v3.0
      174320Updated Dec 29, 2023Dec 29, 2023
    • Python
      0100Updated Nov 23, 2023Nov 23, 2023
    • AMP2

      Public
      Python
      112213Updated Aug 25, 2023Aug 25, 2023
    • SIMPLE-NN

      Public archive
      SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
      Python
      GNU General Public License v3.0
      234840Updated Jan 27, 2022Jan 27, 2022
    • utility

      Public
      Lab utility
      Python
      1100Updated May 14, 2019May 14, 2019
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