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

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

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

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~AlchemyPrepWorkflow.model_computed_fields
      ~AlchemyPrepWorkflow.model_config
      ~AlchemyPrepWorkflow.model_extra
      ~AlchemyPrepWorkflow.model_fields
      ~AlchemyPrepWorkflow.model_fields_set
      ~AlchemyPrepWorkflow.type
      ~AlchemyPrepWorkflow.stereo_expander
      ~AlchemyPrepWorkflow.charge_expander
      ~AlchemyPrepWorkflow.pose_generator
      ~AlchemyPrepWorkflow.core_smarts
      ~AlchemyPrepWorkflow.strict_stereo
      ~AlchemyPrepWorkflow.n_references
      ~AlchemyPrepWorkflow.charge_method