arXiv Machine Learning By Jianru Shen

Discrete Ricci Curvature on Protein Contact Graphs for Lightweight Fold Classification

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arXiv:2607. 16553v1 Announce Type: new Abstract: Protein fold classification can be approached via sequence-based representations or structural descriptors, but direct comparisons between lightweight handcrafted descriptors and pretrained protein language model embeddings remain limited.

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.

arXiv Machine Learning
Jun 16

Learning Topological Representations for Molecular Dynamics

arXiv:2606. 14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings.

By Dominik Geng, Florian Graf, Martin Uray, Roland Kwitt