Skip to content

Commit 228864a

Browse files
authored
Merge pull request #555 from Steinbeck-Lab/development
feat: InChI generator
2 parents 957fae4 + 6e857c9 commit 228864a

File tree

9 files changed

+4862
-145
lines changed

9 files changed

+4862
-145
lines changed

docs/public/Cheminf_API.png

88.1 KB
Loading

docs/public/Cheminf_APP.png

89.3 KB
Loading

frontend/src/components/tools/InChIView.jsx

Lines changed: 2146 additions & 0 deletions
Large diffs are not rendered by default.

frontend/src/components/tools/RInChIView.jsx

Lines changed: 1619 additions & 0 deletions
Large diffs are not rendered by default.

frontend/src/pages/AboutPage.jsx

Lines changed: 21 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -629,6 +629,27 @@ const AboutPage = () => {
629629
</p>
630630
</div>
631631
</motion.li>
632+
<motion.li
633+
className="flex items-start"
634+
whileHover={{ x: 5 }}
635+
transition={{ duration: 0.2 }}
636+
>
637+
<div className="flex-shrink-0 w-12 h-12 bg-white dark:bg-slate-700 rounded-lg flex items-center justify-center p-2 shadow-md mr-4">
638+
<img
639+
src="https://github.com/IUPAC-InChI/InChI-Web-Demo/blob/main/pages/img/InChI-logo2.png?raw=true"
640+
alt="InChI Logo"
641+
className="w-full h-full object-contain"
642+
/>
643+
</div>
644+
<div>
645+
<span className="font-semibold">
646+
InChI Web Application
647+
</span>
648+
<p className="text-sm">
649+
InChI evaluation from chemical depictions
650+
</p>
651+
</div>
652+
</motion.li>
632653
</ul>
633654
</div>
634655
</div>

frontend/src/pages/OCSRPage.jsx

Lines changed: 5 additions & 29 deletions
Original file line numberDiff line numberDiff line change
@@ -67,7 +67,7 @@ const OCSRPage = () => {
6767
</motion.p>
6868
</motion.div>
6969

70-
{/* DECIMER and MARCUS Buttons */}
70+
{/* DECIMER Button Only */}
7171
<motion.div
7272
className="flex flex-col md:flex-row gap-4 md:gap-6 justify-center items-center mb-8 md:mb-10"
7373
variants={headerContainerVariants}
@@ -85,22 +85,12 @@ const OCSRPage = () => {
8585
<span className="mr-2 text-lg">Visit DECIMER</span>
8686
<HiOutlineExternalLink className="h-5 w-5" />
8787
</motion.a>
88-
<motion.a
89-
href="https://marcus.decimer.ai"
90-
target="_blank"
91-
rel="noopener noreferrer"
92-
className="flex items-center justify-center px-6 py-4 bg-gradient-to-r from-purple-600 to-indigo-700 hover:from-purple-500 hover:to-indigo-600 text-white font-semibold rounded-lg shadow-lg w-full md:w-auto"
93-
variants={buttonVariant}
94-
whileHover="hover"
95-
>
96-
<span className="mr-2 text-lg">Visit MARCUS</span>
97-
<HiOutlineExternalLink className="h-5 w-5" />
98-
</motion.a>
88+
{/* Marcus button removed */}
9989
</motion.div>
10090

101-
{/* DECIMER and MARCUS Info Cards */}
91+
{/* DECIMER Info Card Only */}
10292
<motion.div
103-
className="grid grid-cols-1 md:grid-cols-2 gap-4 md:gap-6 mb-8 md:mb-10"
93+
className="grid grid-cols-1 gap-4 md:gap-6 mb-8 md:mb-10"
10494
variants={headerContainerVariants}
10595
initial="hidden"
10696
animate="visible"
@@ -117,19 +107,7 @@ const OCSRPage = () => {
117107
It can process images from scientific publications, patents, and other documents, converting visual chemical structures into machine-readable formats like SMILES.
118108
</p>
119109
</motion.div>
120-
121-
<motion.div
122-
className="bg-white dark:bg-slate-800/80 rounded-lg p-5 border border-slate-200 dark:border-slate-700/50 shadow-md"
123-
variants={headerItemVariants}
124-
>
125-
<h3 className="text-lg font-semibold text-purple-600 dark:text-purple-400 mb-2">What is MARCUS?</h3>
126-
<p className="text-[var(--text-secondary)] mb-3">
127-
MARCUS (Molecular Annotation and Recognition for Curating Unravelled Structures) extracts text data and annotates Natural Product information.
128-
</p>
129-
<p className="text-[var(--text-secondary)]">
130-
It extends DECIMER's capabilities by not only extracting structures but also translating them into machine-readable formats and providing comprehensive annotation of natural product information.
131-
</p>
132-
</motion.div>
110+
{/* Marcus info card removed */}
133111
</motion.div>
134112

135113
{/* Main Content Container - Animated */}
@@ -186,8 +164,6 @@ const OCSRPage = () => {
186164
</span>
187165
</p>
188166
</div>
189-
190-
191167
</motion.div>
192168
</div>
193169
</motion.div> {/* End Main Content Body */}

0 commit comments

Comments
 (0)