HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data.
Sutanay ChoudhuryJenna A. BilbreyLogan T. WardSotiris S. XantheasIan T. FosterJoseph P. HeindelBen BlaiszikMarcus E. SchwartingPublished in: CoRR (2020)