Picture for Zihan Pengmei

Zihan Pengmei

Pushing the Limits of All-Atom Geometric Graph Neural Networks: Pre-Training, Scaling and Zero-Shot Transfer

Add code
Oct 29, 2024
Viaarxiv icon

geom2vec: pretrained GNNs as geometric featurizers for conformational dynamics

Add code
Sep 30, 2024
Viaarxiv icon

Technical Report: The Graph Spectral Token -- Enhancing Graph Transformers with Spectral Information

Add code
Apr 08, 2024
Viaarxiv icon

Transformers are efficient hierarchical chemical graph learners

Add code
Oct 02, 2023
Viaarxiv icon

xxMD: Benchmarking Neural Force Fields Using Extended Dynamics beyond Equilibrium

Add code
Aug 30, 2023
Viaarxiv icon