Merge pull request #218 from hjkgrp/delete_molscontrol

Delete molscontrol from the repository
hjkgrp · Apr 24, 2024 · ff43aee · ff43aee
2 parents 91cc41c + df56fab
commit ff43aee
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diff --git a/devtools/conda-envs/mols.yml b/devtools/conda-envs/mols.yml
@@ -31,5 +31,3 @@ dependencies:
   - theochem::iodata
   - xtb
   #- psi4::psi4
-  # molscontrol
-  - scikit-image
diff --git a/docs/source/index.rst b/docs/source/index.rst
@@ -30,7 +30,6 @@ Welcome to molSimplify's documentation!
 | ``Ligands``: database of ligands which are used in molSimplify (if your ligand is not found here, there is a tutorial for adding to the ligand database)
 | - ``ligands.dict``: contains mappings between ligand name and corresponding structure
 | ``Scripts``: codes to write and measure geometries, and write input files
-| ``molscontrol``: dynamic classifier files
 | ``python_nn``: bond length information for the very first bond length NN (2017 Chemical Science)
 | ``sklearn_models``: models for static classification of whether a geometry is good or bad
 | ``tf_nn``: published models from the group

diff --git a/molSimplify/molscontrol/__init__.py b/molSimplify/molscontrol/__init__.py