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cs.LG2024
ProtScape: A molecular structure and energy-aware representation for protein conformation generation
Siddharth Viswanath, Dhananjay Bhaskar, Xingzhi Sun +13
Molecular dynamics (MD) simulations are a principled but computationally expensive approach for studying protein conformational variability, making it challenging to generate large…
cs.LG2024
Convergence of Manifold Filter-Combine Networks
David R. Johnson, Joyce Chew, Siddharth Viswanath +4
In order to better understand manifold neural networks (MNNs), we introduce Manifold Filter-Combine Networks (MFCNs). The filter-combine framework parallels the popular aggregate-c…