-
Notifications
You must be signed in to change notification settings - Fork 0
/
index.html
149 lines (131 loc) · 6.64 KB
/
index.html
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
<!DOCTYPE html>
<html lang="en">
<head>
<meta charset='utf-8'>
<meta http-equiv="X-UA-Compatible" content="chrome=1">
<meta name="description" content="Reaction Mechanism Generator : RMG organization's "home" website">
<link rel="stylesheet" type="text/css" media="screen" href="stylesheets/stylesheet.css">
<title>Reaction Mechanism Generator</title>
</head>
<body>
<!-- HEADER -->
<div id="header_wrap" class="outer">
<header class="inner">
<a id="forkme_banner" href="https://github.com/ReactionMechanismGenerator">View on GitHub</a>
<h1 id="project_title">Reaction Mechanism Generator</h1>
<h2 id="project_tagline">Open source software suite for chemical kinetics</h2>
</header>
</div>
<!-- MAIN CONTENT -->
<div id="main_content_wrap" class="outer">
<section id="main_content" class="inner">
<h3>
<a id="the-new-version-of-rmg-written-in-python" class="anchor"
href="#the-new-version-of-rmg-written-in-python" aria-hidden="true"><span
class="octicon octicon-link"></span></a>RMG-Py (Reaction Mechanism Generator)</h3>
RMG-Py is a package for automatic construction of detailed chemical mechanisms. It is composed of cheminformatics
modules for representing molecules and reactions, modules for estimating thermochemistry and kinetics using
RMG-database, core modules for the mechanism generation algorithm, and various other utilities.
<p>
<strong>Latest Stable Version</strong>:
<a href="https://github.com/ReactionMechanismGenerator/RMG-Py/releases">
<img src="https://img.shields.io/github/release/ReactionMechanismGenerator/RMG-Py.svg">
</a>
(<a href="http://reactionmechanismgenerator.github.io/RMG-Py/users/rmg/installation/index.html"><strong>Download and Install</strong></a>)
<p>
<ul>
<li><a href="http://reactionmechanismgenerator.github.io/RMG-Py/">Online Documentation</a>
</li>
<li>PDF Documentation:
<ul>
<li>
<a href="https://github.com/ReactionMechanismGenerator/RMG-Py/raw/master/documentation/RMG-Py_and_Arkane_Documentation.pdf">RMG
and Arkane User Guide</a> (PDF download)</li>
<li>
<a href="https://github.com/ReactionMechanismGenerator/RMG-Py/raw/master/documentation/RMG-Py_API_Reference.pdf">Developer's
API Reference</a> (PDF download)</li>
</ul>
</li>
<li><a href="https://github.com/ReactionMechanismGenerator/RMG-Py">Source code</a>
</li>
<li><a href="https://github.com/ReactionMechanismGenerator/RMG-Py/issues">Issues page</a>
</li>
<li><a href="https://github.com/ReactionMechanismGenerator/RMG-Py/wiki">Developer wiki</a>
</li>
</ul>
<p>
<h3>
<a id="arkane" class="anchor" href="#arkane" aria-hidden="true"><span class="octicon octicon-link"></span></a>Arkane
(Automatic Reaction Kinetics And Network Exploration)</h3>
Arkane (previously known as CanTherm) is a package for computing thermodynamics and kinetics from quantum chemical calculation.
It can perform traditional transition state theory calculations in addition to pressure dependent rate calculations.
Arkane is bundled with the Python version of RMG. Please <a
href="http://reactionmechanismgenerator.github.io/RMG-Py/users/rmg/installation/index.html">download RMG</a>
to automatically install Arkane and all its features.
<p>
<ul>
<li><a href="http://reactionmechanismgenerator.github.io/RMG-Py/users/arkane/index.html">Documentation</a>
</li>
</ul>
<p>
<h3>
<a id="interactive-website-with-database-and-utilities" class="anchor"
href="#interactive-website-with-database-and-utilities" aria-hidden="true"><span
class="octicon octicon-link"></span></a>Interactive website with database and utilities</h3>
Visit <a href="http://rmg.mit.edu/"><strong>rmg.mit.edu</strong></a> or <a href="http://rmg.coe.neu.edu/"><strong>rmg.coe.neu.edu</strong></a>
(mirrors, often with different versions) to visualize models, view the databases, and perform thermodynamics and kinetics searches.
<p>
<ul>
<li><a href="https://github.com/ReactionMechanismGenerator/RMG-website">Source code</a>
</li>
<li><a href="https://github.com/ReactionMechanismGenerator/RMG-website/issues">Issues page</a>
</li>
</ul>
<p>
<h3>
<a id="the-previous-version-of-rmg-written-in-java" class="anchor"
href="#the-previous-version-of-rmg-written-in-java" aria-hidden="true"><span
class="octicon octicon-link"></span></a>The previous version of RMG, written in Java</h3>
The Java version of RMG is no longer in active development. We highly recommend using the latest version of RMG
in Python to get the latest features.
<p>
<strong>Latest Stable Version</strong>: 4.0.1
<p>
<ul>
<li><a href="http://rmg.sourceforge.net">Documentation</a>
</li>
<li><a href="https://github.com/ReactionMechanismGenerator/RMG-Java">Source code</a>
</li>
<li><a href="https://github.com/ReactionMechanismGenerator/RMG-Java/issues">Issues page</a>
</li>
</ul>
<p>
<h3>
<a id="credits" class="anchor" href="#credits" aria-hidden="true"><span class="octicon octicon-link"></span></a>Credits
</h3>
<ul>
<li><a href="http://greengroup.mit.edu/">William H. Green Research Group at MIT</a>
</li>
<li><a href="http://www.northeastern.edu/comocheng/">Richard H. West Research Group at Northeastern
University</a>
</li>
</ul>
</section>
</div>
<!-- FOOTER -->
<div id="footer_wrap" class="outer">
<footer class="inner">
</footer>
</div>
<script type="text/javascript">
var gaJsHost = (("https:" == document.location.protocol) ? "https://ssl." : "http://www.");
document.write(unescape("%3Cscript src='" + gaJsHost + "google-analytics.com/ga.js' type='text/javascript'%3E%3C/script%3E"));
</script>
<script type="text/javascript">
try {
var pageTracker = _gat._getTracker("UA-24556433-3");
pageTracker._trackPageview();
} catch (err) {}
</script>
</body>
</html>