neural-network-potentials

There are 3 repositories under neural-network-potentials topic.

  • AspirinCode/awesome-AI4MolConformation-MD

    List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning

    993011
  • StableNetGuardOwl

    Exscientia/StableNetGuardOwl

    Perform stability tests for Neural Network Potentials

    Language:Python5260

  • hitergelei/aml

    Active learning; Query by committee; Ensemble averaging; Committee machines; Neural Network Potentials

    Language:Python00