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3 results in Keywords: Variational autoencoders

Theoretical and Computational Chemistry

A Deep Generative Model for the Inverse Design of Transition Metal Ligands and Complexes

Magnus Strandgaard, Trond Linjordet, Hannes Kneiding, Arron Burnage, Ainara Nova, Jan Halborg Jensen, David Balcells

Version 2 posted 27 January 2025

630

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Theoretical and Computational Chemistry

Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models

Zhenpeng Yao, Benjamin Sanchez-Lengeling, N. Scott Bobbitt, Benjamin J. Bucior, Sai Govind Hari Kumar, Sean P. Collins, Thomas Burns, Tom K. Woo, Omar Farha, Randall Q. Snurr, Alan Aspuru-Guzik

Version 2 posted 25 August 2020

6,188

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Theoretical and Computational Chemistry

Assessments of Variational Autoencoder in Protein Conformation Exploration

Sian Xiao, Zilin Song, Hao Tian, Peng Tao

Version 1 posted 27 October 2022

402

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1

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