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10 results in Keywords: Variational Autoencoder

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

1,285

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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

141

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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

413

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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

167

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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

1,327

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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

1,788

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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

1,311

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Citations

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

1,792

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Citations

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

514

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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

306

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10 results in Variational Autoencoder in Keywords: Variational Autoencoder

Giving Attention to Generative VAE Models for De Novo Molecular Design

Fuzz testing molecular representation using deep variational anomaly generation

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

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

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

Deep Learning Enabled Inorganic Material Generator

Conditional 𝛽-VAE for De Novo Molecular Generation

Penalized Variational Autoencoder for Molecular Design

Assessing Deep Generative Models in Chemical Composition Space

Explore protein conformational space with variational autoencoder

10 results in Keywords: Variational Autoencoder