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reordering tutorials (#1141)

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Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
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Alyssa Travitz
2025-02-19 14:30:11 -08:00
committed by GitHub
parent 85fc290c34
commit 446ef8cb74
1 changed files with 9 additions and 9 deletions
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18
docs/tutorials/index.rst
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@@ -9,12 +9,6 @@ OpenFE has several tutorial notebooks which are maintained on our
Here is a list of key tutorials which cover the different aspects of the
OpenFE tooling:
Generating Partial Charges
--------------------------
The :ref:`Generating Partial Charges CLI tutorial <charge_molecules_cli_tutorial>` demonstrates
how the command line interface can be used to assign and store partial charges for small molecules which
can be used throughout the OpenFE ecosystem.
Relative Free Energies
----------------------
@@ -47,6 +41,12 @@ The :any:`Absolute Solvation Free Energy Protocol <ahfe_tutorial>` tutorial
walks users through how to calculate the hydration free energy of a benzene
ligand.
Generating Partial Charges
--------------------------
The :ref:`Generating Partial Charges CLI tutorial <charge_molecules_cli_tutorial>` demonstrates
how the command line interface can be used to assign and store partial charges for small molecules which
can be used throughout the OpenFE ecosystem.
Molecular Dynamics (MD)
-----------------------
@@ -73,10 +73,10 @@ and plot networks of relative free energy results.
:maxdepth: 1
:hidden:
charge_molecules_cli_tutorial
showcase_notebook
rbfe_cli_tutorial
rbfe_python_tutorial
showcase_notebook
md_tutorial
ahfe_tutorial
charge_molecules_cli_tutorial
md_tutorial
plotting_with_cinnabar