Augmenting Molecular Deep Generative Models with Topological Data Analysis Representations

Yair Schiff, Vijil Chenthamarakshan, Samuel C. Hoffman, Karthikeyan Natesan Ramamurthy, Payel Das. Augmenting Molecular Deep Generative Models with Topological Data Analysis Representations. In IEEE International Conference on Acoustics, Speech and Signal Processing, ICASSP 2022, Virtual and Singapore, 23-27 May 2022. pages 3783-3787, IEEE, 2022. [doi]