These are the codes and models used in our experiments regarding our submitted article “Cheby-KANs:
Advanced Kolmogorov-Arnold Networks for Applying Geometric Deep Learning in Quantum Chemistry
Applications”. The code is developed using python programming language. In our paper we hae
developed the B-spline based KANs with a more powerful and much faster polynomials “shifted-
Chebyshev polynomials” of the first kind. Also, we integrated our new architecture with geometric deep

DOI Link: 
10.21227/d1dm-mq93
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Dataset Files

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[1] Amgad Abdallah, Andreas Pester , Maha Muttardi, Frederic Andres, Shihori Tanabe, Nicolas Greneche, Hesham H. Ali, "Cheby-KANs Dataset ", IEEE Dataport, 2024. [Online]. Available: http://dx.doi.org/10.21227/d1dm-mq93. Accessed: Mar. 18, 2025.
@data{d1dm-mq93-24,
doi = {10.21227/d1dm-mq93},
url = {http://dx.doi.org/10.21227/d1dm-mq93},
author = {Amgad Abdallah; Andreas Pester ; Maha Muttardi; Frederic Andres; Shihori Tanabe; Nicolas Greneche; Hesham H. Ali },
publisher = {IEEE Dataport},
title = {Cheby-KANs Dataset },
year = {2024} }
TY - DATA
T1 - Cheby-KANs Dataset
AU - Amgad Abdallah; Andreas Pester ; Maha Muttardi; Frederic Andres; Shihori Tanabe; Nicolas Greneche; Hesham H. Ali
PY - 2024
PB - IEEE Dataport
UR - 10.21227/d1dm-mq93
ER -
Amgad Abdallah, Andreas Pester , Maha Muttardi, Frederic Andres, Shihori Tanabe, Nicolas Greneche, Hesham H. Ali. (2024). Cheby-KANs Dataset . IEEE Dataport. http://dx.doi.org/10.21227/d1dm-mq93
Amgad Abdallah, Andreas Pester , Maha Muttardi, Frederic Andres, Shihori Tanabe, Nicolas Greneche, Hesham H. Ali, 2024. Cheby-KANs Dataset . Available at: http://dx.doi.org/10.21227/d1dm-mq93.
Amgad Abdallah, Andreas Pester , Maha Muttardi, Frederic Andres, Shihori Tanabe, Nicolas Greneche, Hesham H. Ali. (2024). "Cheby-KANs Dataset ." Web.
1. Amgad Abdallah, Andreas Pester , Maha Muttardi, Frederic Andres, Shihori Tanabe, Nicolas Greneche, Hesham H. Ali. Cheby-KANs Dataset [Internet]. IEEE Dataport; 2024. Available from : http://dx.doi.org/10.21227/d1dm-mq93
Amgad Abdallah, Andreas Pester , Maha Muttardi, Frederic Andres, Shihori Tanabe, Nicolas Greneche, Hesham H. Ali. "Cheby-KANs Dataset ." doi: 10.21227/d1dm-mq93