File: ligand_scoring.rst

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:mod:`~ost.mol.alg.ligand_scoring` -- Ligand scoring functions
------------------------------------------------------------------------------------------

.. note ::
  Extra requirements:

  - Python modules `numpy` and `networkx` must be available
    (e.g. use ``pip install numpy networkx``)

.. module:: ost.mol.alg.ligand_scoring
   :synopsis: Ligand scoring functions

.. automodule:: ost.mol.alg.ligand_scoring_base
   :members:
   :member-order: bysource
   :synopsis: Scoring of ligands

.. automodule:: ost.mol.alg.ligand_scoring_lddtpli
   :members:
   :member-order: bysource
   :synopsis: Scoring of ligands with lDDT-PLI

.. automodule:: ost.mol.alg.ligand_scoring_scrmsd
   :members:
   :member-order: bysource
   :synopsis: Scoring of ligands with Symmetry-corrected RMSD