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atomistic-machine-learning

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  1. schnetpack schnetpack Public

    SchNetPack - Deep Neural Networks for Atomistic Systems

    Python 775 214

Repositories

Showing 8 of 8 repositories
  • schnetpack Public

    SchNetPack - Deep Neural Networks for Atomistic Systems

    atomistic-machine-learning/schnetpack’s past year of commit activity
    Python 775 214 1 3 Updated Sep 30, 2024
  • schnetpack-gschnet Public

    G-SchNet extension for SchNetPack

    atomistic-machine-learning/schnetpack-gschnet’s past year of commit activity
    Python 46 MIT 8 0 0 Updated Sep 5, 2024
  • cG-SchNet Public

    cG-SchNet - a conditional generative neural network for 3d molecular structures

    atomistic-machine-learning/cG-SchNet’s past year of commit activity
    Python 52 MIT 14 0 0 Updated Mar 24, 2023
  • G-SchNet Public

    G-SchNet - a generative model for 3d molecular structures

    atomistic-machine-learning/G-SchNet’s past year of commit activity
    Python 129 MIT 24 0 0 Updated Mar 24, 2023
  • field_schnet Public
    atomistic-machine-learning/field_schnet’s past year of commit activity
    Rich Text Format 17 4 1 0 Updated May 19, 2022
  • SchNOrb Public

    Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

    atomistic-machine-learning/SchNOrb’s past year of commit activity
    Python 59 MIT 19 1 0 Updated Sep 17, 2019
  • SchNet Public

    SchNet - a deep learning architecture for quantum chemistry

    atomistic-machine-learning/SchNet’s past year of commit activity
    Python 218 MIT 65 1 0 Updated Sep 4, 2018
  • dtnn Public

    Deep Tensor Neural Network

    atomistic-machine-learning/dtnn’s past year of commit activity
    Python 76 MIT 31 0 0 Updated Jul 11, 2017

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