atomgen namespace

Subpackages

• atomgen.data package
  • Submodules
    • atomgen.data.data_collator module
      • DataCollatorForAtomModeling
    • atomgen.data.tokenizer module
      • AtomTokenizer
    • atomgen.data.utils module
      • compute_metrics_lba()
      • compute_metrics_lep()
      • compute_metrics_msp()
      • compute_metrics_ppi()
      • compute_metrics_psr()
      • compute_metrics_res()
      • compute_metrics_rsr()
      • compute_metrics_smp()
• atomgen.models package
  • Submodules
    • atomgen.models.configuration_atomformer module
      • AtomformerConfig
    • atomgen.models.modeling_atomformer module
      • AtomFormerForSystemClassification
      • AtomformerEncoder
      • AtomformerForCoordinateAM
      • AtomformerForMaskedAM
      • AtomformerModel
      • AtomformerPreTrainedModel
      • GaussianLayer
      • InitialStructure2RelaxedEnergy
      • InitialStructure2RelaxedStructure
      • InitialStructure2RelaxedStructureAndEnergy
      • ParallelBlock
      • Structure2Energy
      • Structure2EnergyAndForces
      • Structure2Forces
      • Structure2TotalEnergyAndForces
    • atomgen.models.schnet module
      • SchNetConfig
      • SchNetModel
      • SchNetPreTrainedModel
    • atomgen.models.tokengt module
      • InitialStructure2RelaxedEnergy
      • InitialStructure2RelaxedStructure
      • InitialStructure2RelaxedStructureAndEnergy
      • ParallelBlock
      • Structure2EnergyAndForces
      • TransformerConfig
      • TransformerEncoder
      • TransformerForCoordinateAM
      • TransformerForMaskedAM
      • TransformerModel
      • TransformerPreTrainedModel