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rxn4chemistry · Oct 22, 2024 · 8253019 · 8253019
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diff --git a/README.md b/README.md
@@ -40,5 +40,10 @@ run_xgboost.sh
 ## Citation
 Cite our work as followes:
 ```
-Bibtex is Coming 
+@article{alberts2024unraveling,
+  title={Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry},
+  author={Alberts, Marvin and Schilter, Oliver and Zipoli, Federico and Hartrampf, Nina and Laino, Teodoro},
+  year={2024},
+  url={https://arxiv.org/abs/2407.17492}, 
+}
 ```
diff --git a/data/example_data_1.parquet b/data/example_data_1.parquet
diff --git a/data/example_data_2.parquet b/data/example_data_2.parquet
diff --git a/docs/static/css/index.css b/docs/static/css/index.css
@@ -135,3 +135,59 @@ body {
 
 
 
+
+/* Add this to your static/css/index.css file */
+
+/* Adjust max-width of desktop containers */
+.container.is-max-desktop {
+  max-width: 800px !important;  /* Reduced from default 960px */
+}
+
+/* Adjust overall content scaling */
+.hero-body {
+  padding: 2rem 1.5rem;  /* Reduced padding */
+}
+
+/* Adjust title sizes */
+.title.is-1 {
+  font-size: 2.5rem !important;  /* Reduced from 3rem */
+}
+
+.title.is-3 {
+  font-size: 1.5rem !important;  /* Reduced from 2rem */
+}
+
+/* Adjust table sizing */
+table {
+  font-size: 0.9rem;
+}
+
+/* Adjust content text size */
+.content {
+  font-size: 0.95rem;
+}
+
+/* Make images in carousel slightly smaller */
+.results-carousel .item img {
+  max-width: 90%;
+  margin: 0 auto;
+  display: block;
+}
+
+/* Adjust author section spacing */
+.publication-authors {
+  font-size: 1rem !important;
+  line-height: 1.4;
+}
+
+/* Reduce spacing between sections */
+.section {
+  padding: 2rem 1.5rem;
+}
+
+/* Add media query to only apply these styles on desktop */
+@media screen and (min-width: 1024px) {
+  .container.is-max-desktop {
+      margin: 0 auto;
+  }
+}
diff --git a/docs/static/images/Overview.png b/docs/static/images/Overview.png
diff --git a/download_spectra.sh b/download_spectra.sh
@@ -0,0 +1,21 @@
+#!/bin/bash
+
+# Create a data directory if it doesn't exist
+mkdir -p data
+
+# Download the data from Zenodo
+echo "Downloading spectra data from Zenodo..."
+curl -L "https://zenodo.org/records/11611178/files/multimodal_spectroscopic_dataset.zip" -o data/multimodal_spectroscopic_dataset.zip
+
+# Unzip the file
+echo "Extracting data..."
+unzip -q data/multimodal_spectroscopic_dataset.zip -d data/
+
+# Remove the zip file to save space (optional)
+echo "Cleaning up..."
+rm data/multimodal_spectroscopic_dataset.zip
+
+echo "Download complete! Data is available in the data directory."
+
+# Make the script executable
+chmod +x download_spectra.sh