Hide navigation sidebar

Hide table of contents sidebar

Skip to content

Toggle site navigation sidebar

IITP PPI 0.0.2 documentation

Toggle table of contents sidebar

IITP PPI 0.0.2 documentation

API
Toggle navigation of API
- API/Backbone
  Toggle navigation of API/Backbone
  - deepfold
    Toggle navigation of deepfold
    - deepfold.common
      Toggle navigation of deepfold.common
      - deepfold.common.protein
      - deepfold.common.residue_constants
    - deepfold.config
    - deepfold.data
      Toggle navigation of deepfold.data
      - deepfold.data.errors
      - deepfold.data.modules
        Toggle navigation of deepfold.data.modules
        
        deepfold.data.modules.dataloaders
        
        deepfold.data.modules.mmcif_dataset
        
        deepfold.data.modules.samplers
        
        deepfold.data.modules.single_dataset
      - deepfold.data.monomer
      - deepfold.data.multimer
        Toggle navigation of deepfold.data.multimer
        
        deepfold.data.multimer.input_features
        
        deepfold.data.multimer.msa_pairing
      - deepfold.data.pdbio
      - deepfold.data.pdbx_parsing
      - deepfold.data.search
        Toggle navigation of deepfold.data.search
        
        deepfold.data.search.crfalign
        
        deepfold.data.search.input_features
        
        deepfold.data.search.mmcif
        
        deepfold.data.search.msa_identifiers
        
        deepfold.data.search.parsers
        
        deepfold.data.search.templates
      - deepfold.data.tools
        Toggle navigation of deepfold.data.tools
        
        deepfold.data.tools.hhblits
        
        deepfold.data.tools.hhsearch
        
        deepfold.data.tools.hmmbuild
        
        deepfold.data.tools.hmmsearch
        
        deepfold.data.tools.jackhmmer
        
        deepfold.data.tools.kalign
        
        deepfold.data.tools.utils
    - deepfold.distributed
      Toggle navigation of deepfold.distributed
      - deepfold.distributed.model_parallel
      - deepfold.distributed.utils
    - deepfold.eval
      Toggle navigation of deepfold.eval
    - deepfold.loss
    - deepfold.losses
      Toggle navigation of deepfold.losses
    - deepfold.modules
      Toggle navigation of deepfold.modules
    - deepfold.ops
      Toggle navigation of deepfold.ops
      - deepfold.ops.evoformer_attention
    - deepfold.package_info
    - deepfold.relax
      Toggle navigation of deepfold.relax
    - deepfold.runner
      Toggle navigation of deepfold.runner
    - deepfold.testing
      Toggle navigation of deepfold.testing
      - deepfold.testing.common
      - deepfold.testing.utils
    - deepfold.train
      Toggle navigation of deepfold.train
    - deepfold.utils
      Toggle navigation of deepfold.utils
- API/Tool
  Toggle navigation of API/Tool
  - bis_protein_structure
    Toggle navigation of bis_protein_structure
  - gd_dl
    Toggle navigation of gd_dl
    - gd_dl.data
      Toggle navigation of gd_dl.data
    - gd_dl.lib_pdb_mol2
    - gd_dl.models
    - gd_dl.path_setting
    - gd_dl.rerank_model
    - gd_dl.utils
  - promptbind
    Toggle navigation of promptbind
    - promptbind.data
      Toggle navigation of promptbind.data
      - promptbind.data.data
    - promptbind.models
      Toggle navigation of promptbind.models
    - promptbind.test_promptbind
    - promptbind.utils
      Toggle navigation of promptbind.utils
    - promptbind.visualize_prompt_components
  - diffalign
    Toggle navigation of diffalign
    - diffalign.models
      Toggle navigation of diffalign.models
      - diffalign.models.common
      - diffalign.models.encoder
        Toggle navigation of diffalign.models.encoder
        
        diffalign.models.encoder.edge
        
        diffalign.models.encoder.egnn
      - diffalign.models.epsnet
        Toggle navigation of diffalign.models.epsnet
        
        diffalign.models.epsnet.diffusion
    - diffalign.utils
      Toggle navigation of diffalign.utils
      - diffalign.utils.chem
      - diffalign.utils.common
      - diffalign.utils.dataloader
      - diffalign.utils.datasets
      - diffalign.utils.evaluation
        Toggle navigation of diffalign.utils.evaluation
        
        diffalign.utils.evaluation.covmat
      - diffalign.utils.misc
      - diffalign.utils.transforms
      - diffalign.utils.visualize

Toggle table of contents sidebar

deepfold.relax.relax¶

Amber relaxation.

Classes

AmberRelaxation(*, max_iterations, ...)

Amber relaxation.

deepfold.relax.utils

deepfold.relax.cleanup

Copyright © 2024, Paek et al.

Made with Sphinx and @pradyunsg's Furo