MASSA-Algorithm 2.0.1__py3-none-any.whl → 2.2.0__py3-none-any.whl

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Files changed (7) hide show
  1. MASSA_Algorithm/MASSAlogos.py +2 -2
  2. {massa_algorithm-2.0.1.dist-info → massa_algorithm-2.2.0.dist-info}/METADATA +4 -5
  3. {massa_algorithm-2.0.1.dist-info → massa_algorithm-2.2.0.dist-info}/RECORD +7 -7
  4. {massa_algorithm-2.0.1.dist-info → massa_algorithm-2.2.0.dist-info}/WHEEL +0 -0
  5. {massa_algorithm-2.0.1.dist-info → massa_algorithm-2.2.0.dist-info}/entry_points.txt +0 -0
  6. {massa_algorithm-2.0.1.dist-info → massa_algorithm-2.2.0.dist-info}/licenses/LICENSE +0 -0
  7. {massa_algorithm-2.0.1.dist-info → massa_algorithm-2.2.0.dist-info}/top_level.txt +0 -0
MASSA_Algorithm/MASSAlogos.py CHANGED
@@ -20,7 +20,7 @@ def initial_print():
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  ██░░░▓▓▓▓░░░░░░░▓▓▓▓░░░░░░░▓▓▓▓░░░░█
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  ██░░░░▓▓▓▓▓▓░░░░░▓▓▓▓▓▓░░░░░▓▓▓▓▓▓░░░░█ MASSA Algorithm:
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  ████░░░░░▓▓▓▓░░░░░░░▓▓▓▓░░░░░░░▓▓▓▓░░░░░█████ Molecular data set sampling — Training-Test Separation
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- █▓▓▓███░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░███▓▓▓█ Version: v. 2.0.1
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+ █▓▓▓███░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░░███▓▓▓█ Version: v. 2.2.0
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  █▒▓▓▒▒▒████░░░░░░░░░░░░░░░░░░░░░░░░░░░░████▒▒▓▓▒█
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  ██▓▒▒▒▓▓▓▓██████████████████████████████▓▓▓▒▒▒▒▓█ Developed by: Gabriel Corrêa Veríssimo
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  ██▒▒▒▓▓▒▒▒▒▓▓▒▒▒▒▓▓▒▒▒▒▒▒▒▒▒▒▒▒▓▓▒▒▒▒▓▓▒▒▒▓▓▒▒██ LICENSE: AGPL-3.0
@@ -31,4 +31,4 @@ def initial_print():
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  def python_logo():
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- print("🍕 MASSA Algorithm v. 2.0.1: Molecular data set sampling")
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+ print("🍕 MASSA Algorithm v. 2.2.0: Molecular data set sampling")
{massa_algorithm-2.0.1.dist-info → massa_algorithm-2.2.0.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: MASSA_Algorithm
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- Version: 2.0.1
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+ Version: 2.2.0
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  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.
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  Home-page: https://github.com/gcverissimo/MASSA_Algorithm
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  Author: Gabriel Corrêa Veríssimo
@@ -18,7 +18,7 @@ Classifier: Topic :: Scientific/Engineering :: Chemistry
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  Requires-Python: >=3.8
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  Description-Content-Type: text/markdown
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  License-File: LICENSE
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- Requires-Dist: numpy<2.0
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+ Requires-Dist: numpy
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  Requires-Dist: rdkit
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  Requires-Dist: pandas
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  Requires-Dist: matplotlib>=3.2
@@ -72,15 +72,14 @@ python setup.py install
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  ### Requirements
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  * python: >= 3.8;
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  * rdkit;
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- * numpy: < 2.0;
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+ * numpy;
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  * pandas;
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  * matplotlib: >= 3.2;
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  * scipy: >= 1.6;
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  * scikit-learn: > 0.24;
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  * kmodes:¹ >= 0.10.
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- Newer versions of the packages may also work, but they need to be tested.
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- NOTE: Also tested on: scikit-learn: 1.7.0, scipy: 1.16.1, numpy: 2.0.2, rdkit: 2025.03.5.
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+ NOTE: Also tested on: scikit-learn: 1.7.0, scipy: 1.16.1, numpy: 2.0.2, rdkit: 2025.03.5.
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  ## Usage
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  Once installed, the program can be run directly from the command line:
{massa_algorithm-2.0.1.dist-info → massa_algorithm-2.2.0.dist-info}/RECORD RENAMED
@@ -3,7 +3,7 @@ MASSA_Algorithm/MASSAargs.py,sha256=rMlV-8ty-Cup7zufVaDY1QQv41azusgH_AwLJgxtEwc,
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  MASSA_Algorithm/MASSAcluster.py,sha256=aHYRHeuHxzGyiW3KIT4K3cCBddgnjKZj1U63cNCTv6U,21316
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  MASSA_Algorithm/MASSAdescriptors.py,sha256=g34_1CCJLwacj9qEfEyGe4Ci-5EKZc-DAHiFuEE8IC4,3066
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  MASSA_Algorithm/MASSAextraction.py,sha256=S5v9MqwLmVrw6Pke7d_gvaKgIvt8tT3U5w-Y_6q6lKw,7084
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- MASSA_Algorithm/MASSAlogos.py,sha256=c9EOJTAKTohUdSnYl30u2gogofUKtaTp02ZZls_5KaA,3629
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+ MASSA_Algorithm/MASSAlogos.py,sha256=IX0_GzRLGAz3qNBWsOyFEiRv4uLT2XUBevOvXcFkAW8,3629
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  MASSA_Algorithm/MASSAmoloutput.py,sha256=X-gMvIQ7oEkpdXdPEI5FevncDgnM02X4C-oQrOoaejI,3643
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  MASSA_Algorithm/MASSAod.py,sha256=C2pkFMo5icH9tKZxxsEuqjFMl8FyP7HlSaDqqKHYWHw,657
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  MASSA_Algorithm/MASSAopen_files.py,sha256=DDPA-zKmxxsRPkaAz8pKG_j3LK3acyXQAGdL2Mxhc5Q,10708
@@ -11,9 +11,9 @@ MASSA_Algorithm/MASSApreparation.py,sha256=PxKyZxvfZKt5lwrB2RtohwqWFLMzDPpscINZO
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  MASSA_Algorithm/MASSAsplit.py,sha256=Gdch0jZY_bLmKWFWNeZ-b-Zmt_HkrdpN1ej2fU_u5gQ,16460
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  MASSA_Algorithm/__init__.py,sha256=yY3Tbs-t4HSl4I0Ev0RcHMnHU7SwljlWRveiRJkeCB8,10
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  MASSA_Algorithm/pyMASSA.py,sha256=Ow1ykPhFhYzttwuunbyf7Sxfayn0aUr6vwdE2hTAcNU,14154
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- massa_algorithm-2.0.1.dist-info/licenses/LICENSE,sha256=hIahDEOTzuHCU5J2nd07LWwkLW7Hko4UFO__ffsvB-8,34523
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- massa_algorithm-2.0.1.dist-info/METADATA,sha256=CH99grh3pyZJUQGkqcwTTKlc7dQLH7GIMXiEKJkGMHw,10496
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- massa_algorithm-2.0.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- massa_algorithm-2.0.1.dist-info/entry_points.txt,sha256=oMtqswy07Di-w2uIYAEvenBKl0ovsr9AYm_yxn6LGtU,63
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- massa_algorithm-2.0.1.dist-info/top_level.txt,sha256=IZyttJ20RSD8w9nAcaTHWAvkvxHV5FGaVGB7mDrw9Cc,16
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- massa_algorithm-2.0.1.dist-info/RECORD,,
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+ massa_algorithm-2.2.0.dist-info/licenses/LICENSE,sha256=hIahDEOTzuHCU5J2nd07LWwkLW7Hko4UFO__ffsvB-8,34523
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+ massa_algorithm-2.2.0.dist-info/METADATA,sha256=hY2bAdGPxBgmlU0vnn7js7SV3U7O36v-fazZQeG9PhU,10407
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+ massa_algorithm-2.2.0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ massa_algorithm-2.2.0.dist-info/entry_points.txt,sha256=oMtqswy07Di-w2uIYAEvenBKl0ovsr9AYm_yxn6LGtU,63
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+ massa_algorithm-2.2.0.dist-info/top_level.txt,sha256=IZyttJ20RSD8w9nAcaTHWAvkvxHV5FGaVGB7mDrw9Cc,16
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+ massa_algorithm-2.2.0.dist-info/RECORD,,