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    10 repositories

    • sevennet_tutorial

      Public
      data or scripts for SevenNet tutorials
      Jupyter Notebook
      •0•2•0•0•Updated Nov 9, 2024Nov 9, 2024

    • SevenNet

      Public
      SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
      Python
      •
      GNU General Public License v3.0
      •15•131•6•2•Updated Nov 8, 2024Nov 8, 2024

    • SHERPA

      Public
      C
      •
      GNU General Public License v3.0
      •1•1•0•0•Updated Oct 7, 2024Oct 7, 2024

    • SPINNER

      Public
      SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
      C++
      •
      GNU General Public License v3.0
      •2•12•1•0•Updated Jul 20, 2024Jul 20, 2024

    • SIMPLE-NN_v2

      Public
      C++
      •
      GNU General Public License v3.0
      •17•41•4•0•Updated Dec 29, 2023Dec 29, 2023

    • TL-GeoCGNN

      Public
      Python
      •0•0•0•0•Updated Nov 23, 2023Nov 23, 2023

    • AMP2

      Public
      Python
      •11•20•1•3•Updated Aug 25, 2023Aug 25, 2023

    • G-metaD

      Public
      Metadynamics code on the G-space.
      C++
      •
      GNU General Public License v3.0
      •4•13•0•0•Updated Mar 19, 2022Mar 19, 2022

    • SIMPLE-NN

      Public archive
      SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
      Python
      •
      GNU General Public License v3.0
      •23•47•4•0•Updated Jan 27, 2022Jan 27, 2022

    • utility

      Public
      Lab utility
      Python
      •1•1•0•0•Updated May 14, 2019May 14, 2019