2 papers
q-bio.BM2025
ProxelGen: Generating Proteins as 3D Densities
Felix Faltings, Hannes Stark, Regina Barzilay +1
We develop ProxelGen, a protein structure generative model that operates on 3D densities as opposed to the prevailing 3D point cloud representations. Representing proteins as voxel…
q-bio.QM2024
ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation
Majdi Hassan, Nikhil Shenoy, Jungyoon Lee +3
Predicting low-energy molecular conformations given a molecular graph is an important but challenging task in computational drug discovery. Existing state-of-the-art approaches eit…