PyPI - pyphyschemtools - Versions diffs - 0.3.8__tar.gz → 0.3.12__tar.gz - Mend

pyphyschemtools 0.3.8tar.gz → 0.3.12tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.

Files changed (210) hide show

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/PKG-INFO RENAMED Viewed

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pyphyschemtools
-Version: 0.3.8
+Version: 0.3.12
 Summary: A comprehensive Python toolbox for physical chemistry and cheminformatics
 Author-email: "Romuald POTEAU, LPCNO" <romuald.poteau@utoulouse.fr>
 Project-URL: Repository, https://github.com/rpoteau/pyphyschemtools

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/doctrees/environment.pickle RENAMED Viewed

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pyphyschemtools-0.3.12/docs/build/doctrees/theory/Kinetics_KORD.doctree ADDED Viewed

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{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/.buildinfo RENAMED Viewed

@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file records the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: f37ec1829b749fac6daa21c9a9b57a8c
+config: e9cc5c4775d40b3dd1c30b04fc9c004a
 tags: 645f666f9bcd5a90fca523b33c5a78b7

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/_sources/theory/Kinetics_KORD.md.txt RENAMED Viewed

@@ -33,18 +33,12 @@ The model $G_\mathrm{THEO}$ is defined by two types of values: **fixed parameter
 **<u>Fixed Parameters</u>:**
 * **Reaction Order**: $n \in \{0, 1, 2\}$ (The user selects the order to test).
-* **Stoichiometry**: $\alpha$ and $\beta$ are known constants.
+* **Stoichiometry**: $\alpha$ and $\beta$ are known constants, provided by the user.
   <div class="rqE">
   $\alpha$ and $\beta$ must be the smallest possible positive integers
   </div>
-**<u>Adjustable Variables</u>:**
-The model fits the experimental data by adjusting the following:
-* **Rate Constant**: $k$
-* **Final Value**: $G_{\infty}$
-* **Initial Value**: $G_{0}$ (While $G_{0}$ is measured, the algorithm also adjusts it to ensure the best fit starting point).
-* **Initial Concentration**: $A_{0}$ (Note: For Order 1, $G_{THEO}$ is independent of $A_{0}$).
+* **Initial Concentration**: $A_{0}$ (Note: For Order 1, $G_{THEO}$ is independent of $A_{0}$). The concentration must also be provided by the user
   <div class="rqE">
@@ -53,11 +47,17 @@ The model fits the experimental data by adjusting the following:
   $$\frac{A_0}{\alpha} = \frac{B_{\infty}}{\beta}$$
   </div>
+**<u>Adjustable Variables</u>:**
+The model fits the experimental data by adjusting the following:
+* **Rate Constant**: $k$
+* **Final Value**: $G_{\infty}$
+* **Initial Value**: $G_{0}$ (While $G_{0}$ is measured, the algorithm also adjusts it to ensure the best fit starting point).
 The optimization is performed for a specific reaction order at a time to determine which model best describes the experimental data.
 <div class="rqE">
-Ensure your starting values for $k$, $A_{0}$, $G_{0}$ and $G_{\infty}$ are realistic to help the algorithm converge.
+By default, KORD chooses the first and last G_\mathrm{EXP} values as $G_{0}$ and $G_{\infty}$. And a default value is also setup by KORD. If you need to change that because of a convergence issue, ensure your starting values for $k$, $G_{0}$ and $G_{\infty}$ are realistic to help the algorithm converge.
 </div>
@@ -73,6 +73,15 @@ $$RMSD = \sqrt{\frac{1}{n} \sum_{k=1}^{n} \{G_\mathrm{EXP}(t_{k}) - G_\mathrm{TH
 </div>
+#### 1.4 Input
+<div class="intro">
+Data input is performed through a structured Excel file. Users simply provide the kinetic parameters ($\alpha$, $\beta$), the initial concentration $[A]_0$, and the experimental data series (time $t$ and property $G_{\mathrm{exp}}$).
+</div>
 ---
 <a id="theoretical-model"></a>

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/_static/documentation_options.js RENAMED Viewed

@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: '0.3.8',
+    VERSION: '0.3.12',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/genindex.html RENAMED Viewed

@@ -5,7 +5,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>Index &mdash; pyphyschemtools 0.3.8 documentation</title>
+  <title>Index &mdash; pyphyschemtools 0.3.12 documentation</title>
       <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=b86133f3" />
       <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
       <link rel="stylesheet" type="text/css" href="_static/visualID.css?v=8e30d5fa" />
@@ -14,7 +14,7 @@
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       <script src="_static/jquery.js?v=5d32c60e"></script>
       <script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-      <script src="_static/documentation_options.js?v=c1cae59a"></script>
+      <script src="_static/documentation_options.js?v=0cf6a877"></script>
       <script src="_static/doctools.js?v=fd6eb6e6"></script>
       <script src="_static/sphinx_highlight.js?v=6ffebe34"></script>
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{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/index.html RENAMED Viewed

@@ -6,7 +6,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>pyphyschemtools documentation &mdash; pyphyschemtools 0.3.8 documentation</title>
+  <title>pyphyschemtools documentation &mdash; pyphyschemtools 0.3.12 documentation</title>
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       <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
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@@ -15,7 +15,7 @@
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       <script src="_static/jquery.js?v=5d32c60e"></script>
       <script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-      <script src="_static/documentation_options.js?v=c1cae59a"></script>
+      <script src="_static/documentation_options.js?v=0cf6a877"></script>
       <script src="_static/doctools.js?v=fd6eb6e6"></script>
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{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/modules.html RENAMED Viewed

@@ -6,7 +6,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>pyphyschemtools &mdash; pyphyschemtools 0.3.8 documentation</title>
+  <title>pyphyschemtools &mdash; pyphyschemtools 0.3.12 documentation</title>
       <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=b86133f3" />
       <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
       <link rel="stylesheet" type="text/css" href="_static/visualID.css?v=8e30d5fa" />
@@ -15,7 +15,7 @@
     <link rel="canonical" href="https://pyphyschemtools.readthedocs.io/modules.html" />
       <script src="_static/jquery.js?v=5d32c60e"></script>
       <script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-      <script src="_static/documentation_options.js?v=c1cae59a"></script>
+      <script src="_static/documentation_options.js?v=0cf6a877"></script>
       <script src="_static/doctools.js?v=fd6eb6e6"></script>
       <script src="_static/sphinx_highlight.js?v=6ffebe34"></script>
       <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>

pyphyschemtools-0.3.12/docs/build/html/objects.inv ADDED Viewed

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{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/py-modindex.html RENAMED Viewed

@@ -5,7 +5,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>Python Module Index &mdash; pyphyschemtools 0.3.8 documentation</title>
+  <title>Python Module Index &mdash; pyphyschemtools 0.3.12 documentation</title>
       <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=b86133f3" />
       <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
       <link rel="stylesheet" type="text/css" href="_static/visualID.css?v=8e30d5fa" />
@@ -14,7 +14,7 @@
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       <script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-      <script src="_static/documentation_options.js?v=c1cae59a"></script>
+      <script src="_static/documentation_options.js?v=0cf6a877"></script>
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{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/pyphyschemtools.html RENAMED Viewed

@@ -6,7 +6,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>pyphyschemtools package &mdash; pyphyschemtools 0.3.8 documentation</title>
+  <title>pyphyschemtools package &mdash; pyphyschemtools 0.3.12 documentation</title>
       <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=b86133f3" />
       <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
       <link rel="stylesheet" type="text/css" href="_static/visualID.css?v=8e30d5fa" />
@@ -15,7 +15,7 @@
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       <script src="_static/jquery.js?v=5d32c60e"></script>
       <script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-      <script src="_static/documentation_options.js?v=c1cae59a"></script>
+      <script src="_static/documentation_options.js?v=0cf6a877"></script>
       <script src="_static/doctools.js?v=fd6eb6e6"></script>
       <script src="_static/sphinx_highlight.js?v=6ffebe34"></script>
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{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/pyphyschemtools.icons_logos_banner.html RENAMED Viewed

@@ -6,7 +6,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>pyphyschemtools.icons_logos_banner package &mdash; pyphyschemtools 0.3.8 documentation</title>
+  <title>pyphyschemtools.icons_logos_banner package &mdash; pyphyschemtools 0.3.12 documentation</title>
       <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=b86133f3" />
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@@ -15,7 +15,7 @@
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       <script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-      <script src="_static/documentation_options.js?v=c1cae59a"></script>
+      <script src="_static/documentation_options.js?v=0cf6a877"></script>
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{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/build/html/search.html RENAMED Viewed

@@ -5,7 +5,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>Search &mdash; pyphyschemtools 0.3.8 documentation</title>
+  <title>Search &mdash; pyphyschemtools 0.3.12 documentation</title>
       <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=b86133f3" />
       <link rel="stylesheet" type="text/css" href="_static/css/theme.css?v=9edc463e" />
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+      <script src="_static/documentation_options.js?v=0cf6a877"></script>
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pyphyschemtools-0.3.12/docs/build/html/searchindex.js ADDED Viewed

@@ -0,0 +1 @@

+ Search.setIndex({"alltitles":{"1. Principle":[[4,"principle"]],"1.1 Experimental Measurements (G_\\mathrm{EXP})":[[4,"experimental-measurements-g-mathrm-exp"]],"1.2 Theoretical Model (G_\\mathrm{THEO})":[[4,"theoretical-model-g-mathrm-theo"]],"1.3 Optimization (RMSD)":[[4,"optimization-rmsd"]],"1.4 Input":[[4,"input"]],"2. 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-  <title>kinetics &mdash; pyphyschemtools 0.3.8 documentation</title>
+  <title>kinetics &mdash; pyphyschemtools 0.3.12 documentation</title>
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@@ -56,6 +56,7 @@
 <li class="toctree-l4"><a class="reference internal" href="#experimental-measurements-g-mathrm-exp">1.1 Experimental Measurements (<span class="math notranslate nohighlight">\(G_\mathrm{EXP}\)</span>)</a></li>
 <li class="toctree-l4"><a class="reference internal" href="#theoretical-model-g-mathrm-theo">1.2 Theoretical Model (<span class="math notranslate nohighlight">\(G_\mathrm{THEO}\)</span>)</a></li>
 <li class="toctree-l4"><a class="reference internal" href="#optimization-rmsd">1.3 Optimization (RMSD)</a></li>
+<li class="toctree-l4"><a class="reference internal" href="#input">1.4 Input</a></li>
 </ul>
 </li>
 <li class="toctree-l3"><a class="reference internal" href="#theoretical-model">2. Theoretical Model</a><ul>
@@ -130,19 +131,12 @@
 <p><strong><u>Fixed Parameters</u>:</strong></p>
 <ul>
 <li><p><strong>Reaction Order</strong>: <span class="math notranslate nohighlight">\(n \in \{0, 1, 2\}\)</span> (The user selects the order to test).</p></li>
-<li><p><strong>Stoichiometry</strong>: <span class="math notranslate nohighlight">\(\alpha\)</span> and <span class="math notranslate nohighlight">\(\beta\)</span> are known constants.</p>
+<li><p><strong>Stoichiometry</strong>: <span class="math notranslate nohighlight">\(\alpha\)</span> and <span class="math notranslate nohighlight">\(\beta\)</span> are known constants, provided by the user.</p>
 <div class="rqE">
 <p><span class="math notranslate nohighlight">\(\alpha\)</span> and <span class="math notranslate nohighlight">\(\beta\)</span> must be the smallest possible positive integers</p>
 </div>
 </li>
-</ul>
-<p><strong><u>Adjustable Variables</u>:</strong>
-The model fits the experimental data by adjusting the following:</p>
-<ul>
-<li><p><strong>Rate Constant</strong>: <span class="math notranslate nohighlight">\(k\)</span></p></li>
-<li><p><strong>Final Value</strong>: <span class="math notranslate nohighlight">\(G_{\infty}\)</span></p></li>
-<li><p><strong>Initial Value</strong>: <span class="math notranslate nohighlight">\(G_{0}\)</span> (While <span class="math notranslate nohighlight">\(G_{0}\)</span> is measured, the algorithm also adjusts it to ensure the best fit starting point).</p></li>
-<li><p><strong>Initial Concentration</strong>: <span class="math notranslate nohighlight">\(A_{0}\)</span> (Note: For Order 1, <span class="math notranslate nohighlight">\(G_{THEO}\)</span> is independent of <span class="math notranslate nohighlight">\(A_{0}\)</span>).</p>
+<li><p><strong>Initial Concentration</strong>: <span class="math notranslate nohighlight">\(A_{0}\)</span> (Note: For Order 1, <span class="math notranslate nohighlight">\(G_{THEO}\)</span> is independent of <span class="math notranslate nohighlight">\(A_{0}\)</span>). The concentration must also be provided by the user</p>
 <div class="rqE">
 <p>The final concentration of B, <span class="math notranslate nohighlight">\(B_{\infty}\)</span> is related to <span class="math notranslate nohighlight">\(A_0\)</span> by the relation:</p>
 <div class="math notranslate nohighlight">
@@ -150,9 +144,16 @@ The model fits the experimental data by adjusting the following:</p>
 </div>
 </li>
 </ul>
+<p><strong><u>Adjustable Variables</u>:</strong>
+The model fits the experimental data by adjusting the following:</p>
+<ul class="simple">
+<li><p><strong>Rate Constant</strong>: <span class="math notranslate nohighlight">\(k\)</span></p></li>
+<li><p><strong>Final Value</strong>: <span class="math notranslate nohighlight">\(G_{\infty}\)</span></p></li>
+<li><p><strong>Initial Value</strong>: <span class="math notranslate nohighlight">\(G_{0}\)</span> (While <span class="math notranslate nohighlight">\(G_{0}\)</span> is measured, the algorithm also adjusts it to ensure the best fit starting point).</p></li>
+</ul>
 <p>The optimization is performed for a specific reaction order at a time to determine which model best describes the experimental data.</p>
 <div class="rqE">
-<p>Ensure your starting values for <span class="math notranslate nohighlight">\(k\)</span>, <span class="math notranslate nohighlight">\(A_{0}\)</span>, <span class="math notranslate nohighlight">\(G_{0}\)</span> and <span class="math notranslate nohighlight">\(G_{\infty}\)</span> are realistic to help the algorithm converge.</p>
+<p>By default, KORD chooses the first and last G_\mathrm{EXP} values as <span class="math notranslate nohighlight">\(G_{0}\)</span> and <span class="math notranslate nohighlight">\(G_{\infty}\)</span>. And a default value is also setup by KORD. If you need to change that because of a convergence issue, ensure your starting values for <span class="math notranslate nohighlight">\(k\)</span>, <span class="math notranslate nohighlight">\(G_{0}\)</span> and <span class="math notranslate nohighlight">\(G_{\infty}\)</span> are realistic to help the algorithm converge.</p>
 </div>
 </div>
 </section>
@@ -163,6 +164,12 @@ The model fits the experimental data by adjusting the following:</p>
 <div class="math notranslate nohighlight">
 \[RMSD = \sqrt{\frac{1}{n} \sum_{k=1}^{n} \{G_\mathrm{EXP}(t_{k}) - G_\mathrm{THEO}(t_{k})\}^{2}}\]</div>
 </div>
+</section>
+<section id="input">
+<h4>1.4 Input<a class="headerlink" href="#input" title="Link to this heading"></a></h4>
+<div class="intro">
+<p>Data input is performed through a structured Excel file. Users simply provide the kinetic parameters (<span class="math notranslate nohighlight">\(\alpha\)</span>, <span class="math notranslate nohighlight">\(\beta\)</span>), the initial concentration <span class="math notranslate nohighlight">\([A]_0\)</span>, and the experimental data series (time <span class="math notranslate nohighlight">\(t\)</span> and property <span class="math notranslate nohighlight">\(G_{\mathrm{exp}}\)</span>).</p>
+</div>
 <hr class="docutils" />
 <p><a id="theoretical-model"></a></p>
 </section>

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/source/conf.py RENAMED Viewed

@@ -10,7 +10,7 @@ project = 'pyphyschemtools'
 version = '0.3'
 copyright = '2026, Romuald Poteau'
 author = 'Romuald Poteau'
-release = '0.3.8'
+release = '0.3.12'
 # -- General configuration ---------------------------------------------------
 # https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/docs/source/theory/Kinetics_KORD.md RENAMED Viewed

@@ -33,18 +33,12 @@ The model $G_\mathrm{THEO}$ is defined by two types of values: **fixed parameter
 **<u>Fixed Parameters</u>:**
 * **Reaction Order**: $n \in \{0, 1, 2\}$ (The user selects the order to test).
-* **Stoichiometry**: $\alpha$ and $\beta$ are known constants.
+* **Stoichiometry**: $\alpha$ and $\beta$ are known constants, provided by the user.
   <div class="rqE">
   $\alpha$ and $\beta$ must be the smallest possible positive integers
   </div>
-**<u>Adjustable Variables</u>:**
-The model fits the experimental data by adjusting the following:
-* **Rate Constant**: $k$
-* **Final Value**: $G_{\infty}$
-* **Initial Value**: $G_{0}$ (While $G_{0}$ is measured, the algorithm also adjusts it to ensure the best fit starting point).
-* **Initial Concentration**: $A_{0}$ (Note: For Order 1, $G_{THEO}$ is independent of $A_{0}$).
+* **Initial Concentration**: $A_{0}$ (Note: For Order 1, $G_{THEO}$ is independent of $A_{0}$). The concentration must also be provided by the user
   <div class="rqE">
@@ -53,11 +47,17 @@ The model fits the experimental data by adjusting the following:
   $$\frac{A_0}{\alpha} = \frac{B_{\infty}}{\beta}$$
   </div>
+**<u>Adjustable Variables</u>:**
+The model fits the experimental data by adjusting the following:
+* **Rate Constant**: $k$
+* **Final Value**: $G_{\infty}$
+* **Initial Value**: $G_{0}$ (While $G_{0}$ is measured, the algorithm also adjusts it to ensure the best fit starting point).
 The optimization is performed for a specific reaction order at a time to determine which model best describes the experimental data.
 <div class="rqE">
-Ensure your starting values for $k$, $A_{0}$, $G_{0}$ and $G_{\infty}$ are realistic to help the algorithm converge.
+By default, KORD chooses the first and last G_\mathrm{EXP} values as $G_{0}$ and $G_{\infty}$. And a default value is also setup by KORD. If you need to change that because of a convergence issue, ensure your starting values for $k$, $G_{0}$ and $G_{\infty}$ are realistic to help the algorithm converge.
 </div>
@@ -73,6 +73,15 @@ $$RMSD = \sqrt{\frac{1}{n} \sum_{k=1}^{n} \{G_\mathrm{EXP}(t_{k}) - G_\mathrm{TH
 </div>
+#### 1.4 Input
+<div class="intro">
+Data input is performed through a structured Excel file. Users simply provide the kinetic parameters ($\alpha$, $\beta$), the initial concentration $[A]_0$, and the experimental data series (time $t$ and property $G_{\mathrm{exp}}$).
+</div>
 ---
 <a id="theoretical-model"></a>

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/pyphyschemtools/__init__.py RENAMED Viewed

@@ -1,6 +1,6 @@
 # tools4pyPhysChem/__init__.py
-__version__ = "0.3.8"
-__last_update__ = "2026-02-03"
+__version__ = "0.3.12"
+__last_update__ = "2026-02-04"
 import importlib
 import importlib.util

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/pyphyschemtools.egg-info/PKG-INFO RENAMED Viewed

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pyphyschemtools
-Version: 0.3.8
+Version: 0.3.12
 Summary: A comprehensive Python toolbox for physical chemistry and cheminformatics
 Author-email: "Romuald POTEAU, LPCNO" <romuald.poteau@utoulouse.fr>
 Project-URL: Repository, https://github.com/rpoteau/pyphyschemtools

{pyphyschemtools-0.3.8 → pyphyschemtools-0.3.12}/pyproject.toml RENAMED Viewed

@@ -1,6 +1,6 @@
 [project]
 name = "pyphyschemtools"
-version = "0.3.8"
+version = "0.3.12"
 description = "A comprehensive Python toolbox for physical chemistry and cheminformatics"
 authors = [{name = "Romuald POTEAU, LPCNO", email = "romuald.poteau@utoulouse.fr"}]
 readme = "README.md"

pyphyschemtools-0.3.8/docs/build/doctrees/theory/Kinetics_KORD.doctree DELETED Viewed

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pyphyschemtools-0.3.8/docs/build/html/objects.inv DELETED Viewed

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pyphyschemtools 0.3.8__tar.gz → 0.3.12__tar.gz

pyphyschemtools 0.3.8tar.gz → 0.3.12tar.gz