specify qsprpred version

README.md

@@ -23,6 +23,9 @@ pip install git+https://github.com/CDDLeiden/DrugEx.git@master
 ### Optional Dependencies
 
 **[QSPRPred](https://github.com/CDDLeiden/QSPRPred.git)** - Optional package to install if you want to use the command line interface of DrugEx, which requires the models to be serialized with this package. It is also used by some examples in the tutorial.
+```bash
+pip install git+https://github.com/CDDLeiden/[email protected]
+```
 
 **[RAscore](https://github.com/reymond-group/RAscore)** - If you want to use the Retrosynthesis Accessibility Score in the desirability function.
 - The installation of RAscore might downgrade the scikit-Learn packages. If this happens, scikit-Learn should be re-upgraded.

setup.cfg

@@ -13,8 +13,6 @@ classifiers =
     Programming Language :: Python :: 3.9
     Programming Language :: Python :: 3.8
     Programming Language :: Python :: 3.7
-    Programming Language :: Python :: 3.6
-    Programming Language :: Python :: 3.5
     Programming Language :: Python :: 3 :: Only
     Topic :: Scientific/Engineering :: Bio-Informatics
     Topic :: Scientific/Engineering :: Chemistry
@@ -33,8 +31,6 @@ install_requires =
     gitpython
     networkx
     requests
-;    RAscore @ git+https://github.com/reymond-group/RAscore.git@master#egg=RAscore
-;    qsprpred @ git+https://github.com/CDDLeiden/QSPRPred.git@main#egg=qsprpred
 
 # Random options
 zip_safe = false

tutorial/requirements.txt

@@ -1,5 +1,5 @@
 jupyterlab
 mols2grid
 git+https://github.com/CDDLeiden/DrugEx.git@master#egg=drugex
-git+https://github.com/CDDLeiden/QSPRPred.git@main#egg=qsprpred
-git+https://github.com/martin-sicho/papyrus-scaffold-visualizer.git@main#egg=papyrus-scaffold-visualizer
+git+https://github.com/CDDLeiden/QSPRPred.git@v1.3.1#egg=qsprpred
+git+https://github.com/martin-sicho/papyrus-scaffold-visualizer.git@main#egg=papyrus-scaffold-visualizer