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"HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and ..."
Sutanay Choudhury et al. (2020)
- Sutanay Choudhury, Jenna A. Bilbrey, Logan T. Ward, Sotiris S. Xantheas, Ian T. Foster, Joseph P. Heindel, Ben Blaiszik, Marcus E. Schwarting:
HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data. CoRR abs/2012.00131 (2020)
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