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4 changes: 4 additions & 0 deletions docs/concepts/estimators.rst
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Expand Up @@ -9,6 +9,10 @@ or to rank ligands by affinity, we need absolute free energies (:math:`\Delta G`

This requires an **estimator**: a method that takes the network of relative free energies and produces absolute values.

Custom estimators can be added by subclassing :class:`cinnabar.estimators.Estimator` and passing an instance to
:meth:`cinnabar.femap.FEMap.generate_absolute_values`. For a worked example, see the
:doc:`custom estimator tutorial <../tutorials/custom-estimator>`.


Maximum Likelihood Estimation (MLE)
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1 change: 1 addition & 0 deletions docs/tutorials/custom-estimator.ipynb
1 change: 1 addition & 0 deletions docs/tutorials/index.rst
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Expand Up @@ -14,6 +14,7 @@ API Tutorials
:maxdepth: 1

cinnabar-api
custom-estimator
calculating-metrics
ecdf-plots
cycle-closure
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