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Published in 2017 at "IEEE Transactions on Neural Networks and Learning Systems"
DOI: 10.1109/tnnls.2016.2570257
Abstract: This paper presents a novel neural network for solving generally constrained variational inequality problems by constructing a system of double projection equations. By defining proper convex energy functions, the proposed neural network is proved to…
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Keywords:
constrained variational;
network;
proposed neural;
generally constrained ... See more keywords
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Published in 2022 at "IEEE transactions on neural networks and learning systems"
DOI: 10.1109/tnnls.2022.3147790
Abstract: Finding target molecules with specific chemical properties plays a decisive role in drug development. We proposed GEOM-CVAE, a constrained variational autoencoder based on geometric representation for molecular generation with specific properties, which is protein-context-dependent. In…
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Keywords:
molecular generation;
constrained variational;
variational autoencoder;
geometry ... See more keywords