Beyond Atoms: Evaluating Electron Density Representation for 3D Molecular Learning

Patricia Adriana Suriana, Joshua A Rackers, Ewa Nowara, Pedro O. Pinheiro, Vishnu Sresht, John M Nicoludis

Published: 23 Sept 2025, Last Modified: 26 Sept 2025AI4D3 2025 PosterEveryoneRevisionsBibTeXCC BY 4.0
Keywords: 3D molecular representation, electron density, protein-ligand binding affinity, quantum chemistry
Submission Number: 10