added bibtex

.gitignore

@@ -1,3 +1,4 @@
 .DS_Store
 *.pyc
 *.cif
+debug.ipynb

main.py

@@ -23,7 +23,8 @@ def main(local):
 
     st.markdown("""
     <h3 align="center">
-    🌐 <a href="https://imatge-upc.github.io/CartNet/" target="_blank">Project</a> | 
+    🌐 <a href="https://imatge-upc.github.io/CartNet/" target="_blank">Project</a> |
+    📄 <a href="https://pubs.rsc.org/en/content/articlelanding/2024/dd/d4dd00352g" target="_blank">Paper</a> | 
     🐙 <a href="https://github.com/imatge-upc/CartNet" target="_blank">GitHub</a>
     </h3>
     """, unsafe_allow_html=True)
@@ -61,6 +62,8 @@ def main(local):
                         continue
                     
                     cif_data = cif[key]
+                    st.markdown(f"{cif_data.keys()}")
+                    st.markdown(f"{cif_data['_atom_site_aniso_u_11']}")
                     if "_diffrn_ambient_temperature" in cif_data.keys():
                         temperature = float(cif_data["_diffrn_ambient_temperature"].split("(")[0])
                     elif "_cell_measurement_temperature" in cif_data.keys():
@@ -118,15 +121,15 @@ def main(local):
     If you use CartNet in your research, please cite our paper:
 
     ```bibtex
-    @article{your_paper_citation,
-    title={Title of the Paper},
-    author={Author1 and Author2 and Author3},
-    journal={Journal Name},
-    year={2023},
-    volume={XX},
-    number={YY},
-    pages={ZZZ}
-    }
+    @Article{D4DD00352G,
+    author ="Solé, Àlex and Mosella-Montoro, Albert and Cardona, Joan and Gómez-Coca, Silvia and Aravena, Daniel and Ruiz, Eliseo and Ruiz-Hidalgo, Javier",
+    title  ="A Cartesian encoding graph neural network for crystal structure property prediction: application to thermal ellipsoid estimation",
+    journal  ="Digital Discovery",
+    year  ="2025",
+    pages  ="-",
+    publisher  ="RSC",
+    doi  ="10.1039/D4DD00352G",
+    url  ="http://dx.doi.org/10.1039/D4DD00352G",}
     ```
     """)