drugforge.alchemy.schema.prep\_workflow.AlchemyDataSet
======================================================

.. currentmodule:: drugforge.alchemy.schema.prep_workflow

.. autoclass:: AlchemyDataSet
   :members:
   :show-inheritance:
   :inherited-members:

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~AlchemyDataSet.__init__
      ~AlchemyDataSet.construct
      ~AlchemyDataSet.copy
      ~AlchemyDataSet.dict
      ~AlchemyDataSet.from_file
      ~AlchemyDataSet.from_orm
      ~AlchemyDataSet.json
      ~AlchemyDataSet.model_construct
      ~AlchemyDataSet.model_copy
      ~AlchemyDataSet.model_dump
      ~AlchemyDataSet.model_dump_json
      ~AlchemyDataSet.model_json_schema
      ~AlchemyDataSet.model_parametrized_name
      ~AlchemyDataSet.model_post_init
      ~AlchemyDataSet.model_rebuild
      ~AlchemyDataSet.model_validate
      ~AlchemyDataSet.model_validate_json
      ~AlchemyDataSet.model_validate_strings
      ~AlchemyDataSet.parse_file
      ~AlchemyDataSet.parse_obj
      ~AlchemyDataSet.parse_raw
      ~AlchemyDataSet.save_posed_ligands
      ~AlchemyDataSet.schema
      ~AlchemyDataSet.schema_json
      ~AlchemyDataSet.to_file
      ~AlchemyDataSet.update_forward_refs
      ~AlchemyDataSet.validate
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~AlchemyDataSet.model_computed_fields
      ~AlchemyDataSet.model_config
      ~AlchemyDataSet.model_extra
      ~AlchemyDataSet.model_fields
      ~AlchemyDataSet.model_fields_set
      ~AlchemyDataSet.type
      ~AlchemyDataSet.dataset_name
      ~AlchemyDataSet.reference_complex
      ~AlchemyDataSet.input_ligands
      ~AlchemyDataSet.posed_ligands
      ~AlchemyDataSet.failed_ligands
      ~AlchemyDataSet.provenance
      ~AlchemyDataSet.stereo_expander
      ~AlchemyDataSet.charge_expander
      ~AlchemyDataSet.pose_generator
      ~AlchemyDataSet.core_smarts
      ~AlchemyDataSet.strict_stereo
      ~AlchemyDataSet.n_references
      ~AlchemyDataSet.charge_method