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

Mon, 01 Jan 2024 00:00:00 +0100

Duy Minh Ho Nguyen, Nina Lukashina, Tai Nguyen, An T. Le, TrungTin Nguyen, Nhat Ho, Jan Peters, Daniel Sonntag, Viktor Zaverkin, Mathias Niepert:
Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks. ICML 2024: 37736-37760