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    8 repositories

    • schnetpack

      Public
      SchNetPack - Deep Neural Networks for Atomistic Systems
      machine-learningneural-networkmolecular-dynamicsquantum-chemistrycondensed-matter
      Python
      •
      Other
      •239•866•1•6•Updated Aug 1, 2025Aug 1, 2025

    • schnetpack-gschnet

      Public
      G-SchNet extension for SchNetPack
      Python
      •
      MIT License
      •11•60•0•0•Updated Nov 7, 2024Nov 7, 2024

    • cG-SchNet

      Public
      cG-SchNet - a conditional generative neural network for 3d molecular structures
      Python
      •
      MIT License
      •16•62•0•0•Updated Mar 24, 2023Mar 24, 2023

    • G-SchNet

      Public
      G-SchNet - a generative model for 3d molecular structures
      Python
      •
      MIT License
      •23•142•0•0•Updated Mar 24, 2023Mar 24, 2023

    • field_schnet

      Public
      Rich Text Format
      •
      Other
      •6•20•1•0•Updated May 19, 2022May 19, 2022

    • SchNOrb

      Public
      Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions
      Python
      •
      MIT License
      •22•69•1•0•Updated Sep 17, 2019Sep 17, 2019

    • SchNet

      Public
      SchNet - a deep learning architecture for quantum chemistry
      Python
      •
      MIT License
      •69•257•1•0•Updated Sep 4, 2018Sep 4, 2018

    • dtnn

      Public
      Deep Tensor Neural Network
      machine-learningquantum-chemistry
      Python
      •
      MIT License
      •30•77•0•0•Updated Jul 11, 2017Jul 11, 2017