Quantum Chemistry

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