Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks
Ho Minh Duy Nguyen; Nina Lukashina; Tai Nguyen; An T. Le; TrungTin Nguyen; Nhat Ho; Jan Peters; Daniel Sonntag; Viktor Zaverkin; Mathias Niepert
In: Proceedings of the 41st International Conference on Machine Learning. International Conference on Machine Learning (ICML), July 21-27, Austria, JMLR.org, 2024.