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API Modules

  • Core Modules
    • Common Utilities
    • Constants
    • Enumerations
  • IO
    • parser
    • Tools
      • FASTA Tools
      • Inference Tools
      • RDKit Tools
    • Transforms
      • Atom Array Transforms
      • Category Transforms
    • Utilities
      • Assembly Utilities
      • Bond Utilities
      • CCD Utilities
      • Chain Utilities
      • I/O Utilities
      • Non-RCSB Utilities
      • Selection Utilities
      • Sequence Utilities
      • Testing Utilities
      • Visualization Utilities
  • ML
    • Encoding Definitions
    • Samplers
    • Datasets
      • Dataset Architecture
      • Dataset Parsers
    • Pipelines
    • Transforms
    • Diffusion Transforms
    • DNA Transforms
    • Feature Aggregation Transforms
    • MSA Transforms
    • Utilities
  • API
  • ML

ML#

Core Modules#

  • Encoding Definitions
    • AF2_ATOM14_ENCODING
    • AF2_ATOM37_ENCODING
    • AF3SequenceEncoding
    • AF3_TOKENS
    • RF2AA_ATOM36_ENCODING
    • RF2AA_STANDARDIZED_TOKENS
    • RF2AA_TOKEN_TO_STANDARD_TOKEN
    • RF2_ATOM14_ENCODING
    • RF2_ATOM23_ENCODING
    • TokenEncoding
    • UNKNOWN_ELEMENT_TOKEN
  • Samplers
    • DistributedMixedSampler
    • FallbackSamplerWrapper
    • LazyWeightedRandomSampler
    • LoadBalancedDistributedSampler
    • MixedSampler
    • calculate_af3_example_weights()
    • calculate_weights_by_inverse_cluster_size()
    • calculate_weights_for_pdb_dataset_df()
    • get_cluster_sizes()
    • set_sampler_epoch()

Data Processing Modules#

  • Datasets
    • Core Dataset Classes
    • Functional Loaders
    • Dataset Architecture and Migration Guide
  • Pipelines
    • AF3 Pipeline
    • RF2AA Pipeline
  • Transforms
    • Core Transform Classes
    • Utility Modules
    • Submodules
  • Diffusion Transforms
    • BatchStructuresForDiffusionNoising
    • SampleEDMNoise
    • sample_noise_edm()
    • sample_t_edm()
  • DNA Transforms
    • PadDNA
    • base_pairs()
    • generate_bform_dna()
    • to_reverse_complement()
  • Feature Aggregation Transforms
  • MSA Transforms
  • Utilities
    • Debug Utilities
    • Error Handling
    • Geometry Utilities
    • I/O Utilities
    • Miscellaneous Utilities
    • Nested Dictionary Utilities
    • NumPy Utilities
    • Random Number Generation
    • Testing Utilities
    • Timer Utilities
    • Token Utilities

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Visualization Utilities

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Encoding Definitions

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