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10 results in Keywords: Variational autoencoder

Theoretical and Computational Chemistry

Working Paper

Deep Learning Enabled Inorganic Material Generator

Yashaswi Pathak, Karandeep Singh Juneja, Girish Varma, Masahiro Ehara, U. Deva Priyakumar

Version 1 posted 18 May 2020

1,808

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Theoretical and Computational Chemistry

Working Paper

Penalized Variational Autoencoder for Molecular Design

Sadegh Mohammadi, Bing O'Dowd, Christian Paulitz-Erdmann, Linus Goerlitz

Version 2 posted 12 April 2019

1,806

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Theoretical and Computational Chemistry

Working Paper

Giving Attention to Generative VAE Models for De Novo Molecular Design

Orion Dollar, Nisarg Joshi, David A. C. Beck, Jim Pfaendtner

Version 1 posted 08 February 2021

1,300

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Theoretical and Computational Chemistry

Working Paper

A Deep Molecular Generative Model Based on Multi-Resolution Graph Variational Autoencoders

zhenxiang gao, xinyu wang, Blake Blumenfeld Gaines, Jinbo Bi, minghu song

Version 1 posted 31 May 2021

1,376

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Theoretical and Computational Chemistry

Working Paper

Assessing Deep Generative Models in Chemical Composition Space

Hanna Türk, Elisabetta Landini, Christian Kunkel, Johannes T. Margraf, Karsten Reuter

Version 1 posted 06 July 2022

527

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Theoretical and Computational Chemistry

Working Paper

Explore protein conformational space with variational autoencoder

Hao Tian, Xi Jiang, Francesco Trozzi, Sian Xiao, Eric Larson, Peng Tao

Version 1 posted 23 September 2021

648

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Biological and Medicinal Chemistry

Working Paper

Conditional 𝛽-VAE for De Novo Molecular Generation

Ryan Richards, Austen Groener

Version 1 posted 02 May 2022

1,358

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Citations

Theoretical and Computational Chemistry

Working Paper

Fuzz testing molecular representation using deep variational anomaly generation

Victor H. R. Nogueira, Rishabh Sharma, Rafael V. C. Guido, Michael J. Keiser

Version 1 posted 11 July 2024

161

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Theoretical and Computational Chemistry

Working Paper

IEV2Mol: Molecular Generative Model Considering Protein-Ligand Interaction Energy Vectors

Mami Ozawa, NOBUAKI YASUO, Masakazu Sekijima

Version 1 posted 14 May 2024

195

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Theoretical and Computational Chemistry

Working Paper

A Joint Semi-Supervised Variational Autoencoder and Transfer Learning Model for Designing Molecular Transition Metal Complexes

Zhi-Hang Lee, Yu-Ting Chen, Hao-Ting Chang, Tzuhsiung Yang

Version 2 posted 12 September 2023

447

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10 results in Variational autoencoder in Keywords: Variational autoencoder

Deep Learning Enabled Inorganic Material Generator

Penalized Variational Autoencoder for Molecular Design

Giving Attention to Generative VAE Models for De Novo Molecular Design

A Deep Molecular Generative Model Based on Multi-Resolution Graph Variational Autoencoders

Assessing Deep Generative Models in Chemical Composition Space

Explore protein conformational space with variational autoencoder

Conditional 𝛽-VAE for De Novo Molecular Generation

Fuzz testing molecular representation using deep variational anomaly generation

IEV2Mol: Molecular Generative Model Considering Protein-Ligand Interaction Energy Vectors

A Joint Semi-Supervised Variational Autoencoder and Transfer Learning Model for Designing Molecular Transition Metal Complexes

10 results in Keywords: Variational autoencoder