Package schrodinger :: Package pipeline :: Package stages :: Module combine

Module combine


Core stages for Pipeline mechanism.

CombineStage
  Stage for combining multiple structure PipeIO sets into one PipeIO set
  and labelling each ligand by the input set from which it came.

DataFusionMergeStage
  Stage for merging results in a Data Fusion workflow.

Copyright Schrodinger, LLC. All rights reserved.

Classes

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CombineStage
Stage for combining multiple Structures objects into one.

DataFusionMergeStage
This stage takes in results from a Glide docking job, Phase Shape job, and a Canvas 2D fingerprint job and combines them based on the Z-score for each method.

Variables

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__doc__ = ...

PHASE_SHAPE_SCORE_PROP = 'r_phase_Shape_Sim'

CANVAS_2D_SCORE_PROP = 'r_canvas_FP_Similarity'

GLIDE_SCORE_PROP = 'r_i_docking_score'

ZSCORE_FINGERPRINT_PROP = 'r_datafusion_Z-score_Fingerprint'

ZSCORE_SHAPE_PROP = 'r_datafusion_Z-score_Shape'

ZSCORE_DOCKING_PROP = 'r_datafusion_Z-score_Docking'

ZSCORE_AVERAGE_PROP = 'r_datafusion_Z-score_Average'

__package__ = 'schrodinger.pipeline.stages'

Variables Details

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doc

Value:

"""
Core stages for Pipeline mechanism.

CombineStage
  Stage for combining multiple structure PipeIO sets into one PipeIO s
et
  and labelling each ligand by the input set from which it came.

...