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10/02/2020
Data Transfer Approaches to Improve Seq-to-Seq Retrosynthesis
Retrosynthesis is a problem to infer reactant compounds to synthesize a ...
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07/21/2020
Learning Structured Latent Factors from Dependent Data:A Generative Model Framework from Information-Theoretic Perspective
Learning controllable and generalizable representation of multivariate d...
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06/12/2020
Weisfeiler-Lehman Embedding for Molecular Graph Neural Networks
A graph neural network (GNN) is a good choice for predicting the chemica...
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09/30/2019
Graph Residual Flow for Molecular Graph Generation
Statistical generative models for molecular graphs attract attention fro...
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02/04/2019
