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

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

Duy M. H. 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. CoRR abs/2402.01975 (2024)