MASSA-Algorithm 2.0.1__tar.gz → 2.2.0__tar.gz

{massa_algorithm-2.0.1 → massa_algorithm-2.2.0}/MASSA_Algorithm/MASSAlogos.py

@@ -20,7 +20,7 @@ def initial_print():
        ██░░░▓▓▓▓░░░░░░░▓▓▓▓░░░░░░░▓▓▓▓░░░░█
      ██░░░░▓▓▓▓▓▓░░░░░▓▓▓▓▓▓░░░░░▓▓▓▓▓▓░░░░█                                 MASSA Algorithm:
    ████░░░░░▓▓▓▓░░░░░░░▓▓▓▓░░░░░░░▓▓▓▓░░░░░█████          Molecular data set sampling  —  Training-Test Separation
-  █▓▓▓███░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░███▓▓▓█                            Version: v. 2.0.1
+  █▓▓▓███░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░███▓▓▓█                            Version: v. 2.2.0
  █▒▓▓▒▒▒████░░░░░░░░░░░░░░░░░░░░░░░░░░░░████▒▒▓▓▒█
  ██▓▒▒▒▓▓▓▓██████████████████████████████▓▓▓▒▒▒▒▓█                Developed by: Gabriel Corrêa Veríssimo
  ██▒▒▒▓▓▒▒▒▒▓▓▒▒▒▒▓▓▒▒▒▒▒▒▒▒▒▒▒▒▓▓▒▒▒▒▓▓▒▒▒▓▓▒▒██                           LICENSE: AGPL-3.0
@@ -31,4 +31,4 @@ def initial_print():
 
 
 def python_logo():
-    print("🍕 MASSA Algorithm v. 2.0.1: Molecular data set sampling")
+    print("🍕 MASSA Algorithm v. 2.2.0: Molecular data set sampling")

{massa_algorithm-2.0.1 → massa_algorithm-2.2.0}/MASSA_Algorithm.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MASSA_Algorithm
-Version: 2.0.1
+Version: 2.2.0
 Summary: MASSA Algorithm is a Python package to separate data sets of molecules into training and test sets, considering the diversity of structural, physicochemical and biological characteristics of these molecules.
 Home-page: https://github.com/gcverissimo/MASSA_Algorithm
 Author: Gabriel Corrêa Veríssimo
@@ -18,7 +18,7 @@ Classifier: Topic :: Scientific/Engineering :: Chemistry
 Requires-Python: >=3.8
 Description-Content-Type: text/markdown
 License-File: LICENSE
-Requires-Dist: numpy<2.0
+Requires-Dist: numpy
 Requires-Dist: rdkit
 Requires-Dist: pandas
 Requires-Dist: matplotlib>=3.2
@@ -72,15 +72,14 @@ python setup.py install
 ### Requirements
 * python: >= 3.8;
 * rdkit;
-* numpy: < 2.0;
+* numpy;
 * pandas;
 * matplotlib: >= 3.2;
 * scipy: >= 1.6;
 * scikit-learn: > 0.24;
 * kmodes:¹ >= 0.10.
 
-Newer versions of the packages may also work, but they need to be tested.
-    NOTE: Also tested on: scikit-learn: 1.7.0, scipy: 1.16.1, numpy: 2.0.2, rdkit: 2025.03.5.
+NOTE: Also tested on: scikit-learn: 1.7.0, scipy: 1.16.1, numpy: 2.0.2, rdkit: 2025.03.5.
 
 ## Usage
 Once installed, the program can be run directly from the command line:

{massa_algorithm-2.0.1 → massa_algorithm-2.2.0}/MASSA_Algorithm.egg-info/requires.txt

@@ -1,4 +1,4 @@
-numpy<2.0
+numpy
 rdkit
 pandas
 matplotlib>=3.2

{massa_algorithm-2.0.1 → massa_algorithm-2.2.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: MASSA_Algorithm
-Version: 2.0.1
+Version: 2.2.0
 Summary: MASSA Algorithm is a Python package to separate data sets of molecules into training and test sets, considering the diversity of structural, physicochemical and biological characteristics of these molecules.
 Home-page: https://github.com/gcverissimo/MASSA_Algorithm
 Author: Gabriel Corrêa Veríssimo
@@ -18,7 +18,7 @@ Classifier: Topic :: Scientific/Engineering :: Chemistry
 Requires-Python: >=3.8
 Description-Content-Type: text/markdown
 License-File: LICENSE
-Requires-Dist: numpy<2.0
+Requires-Dist: numpy
 Requires-Dist: rdkit
 Requires-Dist: pandas
 Requires-Dist: matplotlib>=3.2
@@ -72,15 +72,14 @@ python setup.py install
 ### Requirements
 * python: >= 3.8;
 * rdkit;
-* numpy: < 2.0;
+* numpy;
 * pandas;
 * matplotlib: >= 3.2;
 * scipy: >= 1.6;
 * scikit-learn: > 0.24;
 * kmodes:¹ >= 0.10.
 
-Newer versions of the packages may also work, but they need to be tested.
-    NOTE: Also tested on: scikit-learn: 1.7.0, scipy: 1.16.1, numpy: 2.0.2, rdkit: 2025.03.5.
+NOTE: Also tested on: scikit-learn: 1.7.0, scipy: 1.16.1, numpy: 2.0.2, rdkit: 2025.03.5.
 
 ## Usage
 Once installed, the program can be run directly from the command line:

{massa_algorithm-2.0.1 → massa_algorithm-2.2.0}/README.md

@@ -32,15 +32,14 @@ python setup.py install
 ### Requirements
 * python: >= 3.8;
 * rdkit;
-* numpy: < 2.0;
+* numpy;
 * pandas;
 * matplotlib: >= 3.2;
 * scipy: >= 1.6;
 * scikit-learn: > 0.24;
 * kmodes:¹ >= 0.10.
 
-Newer versions of the packages may also work, but they need to be tested.
-    NOTE: Also tested on: scikit-learn: 1.7.0, scipy: 1.16.1, numpy: 2.0.2, rdkit: 2025.03.5.
+NOTE: Also tested on: scikit-learn: 1.7.0, scipy: 1.16.1, numpy: 2.0.2, rdkit: 2025.03.5.
 
 ## Usage
 Once installed, the program can be run directly from the command line:

{massa_algorithm-2.0.1 → massa_algorithm-2.2.0}/setup.py

@@ -5,7 +5,7 @@ with open('README.md', 'r') as readme:
 
 setuptools.setup(
     name='MASSA_Algorithm',
-    version='2.0.1',
+    version='2.2.0',
     description='MASSA Algorithm is a Python package to separate data sets of molecules into training and test sets, considering the diversity of structural, physicochemical and biological characteristics of these molecules.',
     long_description=long_description,
     long_description_content_type='text/markdown',
@@ -16,7 +16,7 @@ setuptools.setup(
     packages=setuptools.find_packages(),
         entry_points={'console_scripts': [
             'MASSA_Algorithm = MASSA_Algorithm.MASSA:main']},
-    install_requires=['numpy < 2.0', 'rdkit', 'pandas', 'matplotlib >= 3.2',
+    install_requires=['numpy', 'rdkit', 'pandas', 'matplotlib >= 3.2',
                       'scipy >= 1.6', 'scikit-learn > 0.24', 'kmodes >= 0.10'],
     python_requires='>=3.8',
     keywords=['chemoinformatics', 'training', 'test', 'training-test',