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TorsionNet: AReinforcementLearningApproachto SequentialConformerSearch

Neural Information Processing Systems

Accurate prediction of likely 3D geometries of flexiblemolecules is along standing goal of computational chemistry, with broad implications for drug design, biopolymer research, and QSAR analysis.






FairRankAggregation

Neural Information Processing Systems

Ranking algorithms find extensive usage in diverse areas such as web search, employment,collegeadmission,voting,etc.