collaborators

1 paper

cs.LG2024

Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks

Duy M. H. Nguyen, Nina Lukashina, Tai Nguyen +7

A molecule's 2D representation consists of its atoms, their attributes, and the molecule's covalent bonds. A 3D (geometric) representation of a molecule is called a conformer and c…