Opened restrictions of some dependencies

requirements.txt

@@ -1,12 +1,12 @@
-pandas==1.1.3
-numpy==1.19.2
+pandas>=1.1.3
+numpy>=1.19.2
 matplotlib==3.3.2
 seaborn==0.11.1
-umap-learn==0.5.1
-scikit-learn==0.23.2
+umap-learn>=0.5.1
+scikit-learn==0.24.2
 bokeh>=2.2.3
-scipy==1.5.2
-mordred==1.2.0
-networkx==2.5
-pytest==6.2.5
-pytest-cov==3.0.0
+scipy>=1.5.2
+mordred>=1.2.0
+networkx>=2.5
+pytest>=6.2.5
+pytest-cov>=3.0.0

requirements_conda.yml

@@ -4,16 +4,16 @@ channels:
 - defaults
 dependencies:
     - rdkit
-    - pandas==1.1.3
-    - numpy==1.19.2
+    - pandas
+    - numpy
     - matplotlib==3.3.2
     - seaborn==0.11.1
-    - umap-learn==0.5.1
-    - scikit-learn==0.23.2
-    - bokeh>=2.2.3
-    - scipy==1.5.2
-    - mordred==1.2.0
-    - networkx==2.5
+    - umap-learn
+    - scikit-learn==0.24.2
+    - bokeh
+    - scipy
+    - mordred
+    - networkx
     # testing
     - pytest
     - pytest-cov

setup.py

@@ -33,16 +33,16 @@
     ],
     keywords="chemoinformatics, dimension reduction",
     install_requires=[
-	"pandas==1.1.3",
-	"numpy==1.19.2",
+	"pandas>=1.1.3",
+	"numpy>=1.19.2",
 	"matplotlib==3.3.2",
 	"seaborn==0.11.1",
-	"umap-learn==0.5.1",
-	"scikit-learn==0.23.2",
+	"umap-learn>=0.5.1",
+	"scikit-learn==0.24.2",
 	"bokeh>=2.2.3",
-	"scipy==1.5.2",
-	"mordred==1.2.0",
-    	"networkx==2.5"
+	"scipy>=1.5.2",
+	"mordred>=1.2.0",
+    	"networkx>=2.5"
     ],
     test_suite="pytest",
     tests_require=[