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Objective-Reinforced Generative Adversarial Networks (ORGAN) for
  Sequence Generation Models

Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models

30 May 2017
G. L. Guimaraes
Benjamín Sánchez-Lengeling
Carlos Outeiral
Pedro Luis Cunha Farias
Alán Aspuru-Guzik
    GAN
ArXivPDFHTML

Papers citing "Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models"

50 / 67 papers shown
Title
MetaMolGen: A Neural Graph Motif Generation Model for De Novo Molecular Design
MetaMolGen: A Neural Graph Motif Generation Model for De Novo Molecular Design
Zimo Yan
Jie Zhang
Zheng Xie
Chang-rui Liu
Yong-Jin Liu
Yiping Song
36
0
0
22 Apr 2025
Evaluating Creative Short Story Generation in Humans and Large Language Models
Evaluating Creative Short Story Generation in Humans and Large Language Models
Mete Ismayilzada
Claire Stevenson
Lonneke van der Plas
LM&MA
LRM
32
3
0
04 Nov 2024
Repurformer: Transformers for Repurposing-Aware Molecule Generation
Repurformer: Transformers for Repurposing-Aware Molecule Generation
Changhun Lee
Gyumin Lee
49
0
0
16 Jul 2024
Entropy-Reinforced Planning with Large Language Models for Drug Discovery
Entropy-Reinforced Planning with Large Language Models for Drug Discovery
Xuefeng Liu
Chih-chan Tien
Peng Ding
Songhao Jiang
Rick L. Stevens
45
4
0
11 Jun 2024
Molecular Generative Adversarial Network with Multi-Property
  Optimization
Molecular Generative Adversarial Network with Multi-Property Optimization
Huidong Tang
Chen Li
Sayaka Kamei
Yoshihiro Yamanishi
Yasuhiko Morimoto
42
0
0
29 Mar 2024
STRIDE: Structure-guided Generation for Inverse Design of Molecules
STRIDE: Structure-guided Generation for Inverse Design of Molecules
Shehtab Zaman
D. Akhiyarov
Mauricio Araya-Polo
Kenneth Chiu
21
1
0
06 Nov 2023
Reinforcement Learning for Generative AI: A Survey
Reinforcement Learning for Generative AI: A Survey
Yuanjiang Cao
Quan.Z Sheng
Julian McAuley
Lina Yao
SyDa
46
10
0
28 Aug 2023
GraphGANFed: A Federated Generative Framework for Graph-Structured
  Molecules Towards Efficient Drug Discovery
GraphGANFed: A Federated Generative Framework for Graph-Structured Molecules Towards Efficient Drug Discovery
Daniel Manu
Jingjing Yao
Wuji Liu
Xiang Sun
FedML
35
6
0
11 Apr 2023
A survey on text generation using generative adversarial networks
A survey on text generation using generative adversarial networks
Gustavo de Rosa
João Paulo Papa
GAN
32
88
0
20 Dec 2022
Hybrid Quantum Generative Adversarial Networks for Molecular Simulation
  and Drug Discovery
Hybrid Quantum Generative Adversarial Networks for Molecular Simulation and Drug Discovery
Prateek Jain
Srinjoy Ganguly
GAN
AI4CE
28
7
0
15 Dec 2022
Molecular Graph Generation by Decomposition and Reassembling
Molecular Graph Generation by Decomposition and Reassembling
Masatsugu Yamada
M. Sugiyama
16
4
0
11 Dec 2022
Improving Molecule Properties Through 2-Stage VAE
Improving Molecule Properties Through 2-Stage VAE
Chenghui Zhou
Barnabás Póczós
DRL
28
1
0
06 Dec 2022
Reinforced Genetic Algorithm for Structure-based Drug Design
Reinforced Genetic Algorithm for Structure-based Drug Design
Tianfan Fu
Wenhao Gao
Connor W. Coley
Jimeng Sun
30
51
0
28 Nov 2022
Deep Fake Detection, Deterrence and Response: Challenges and
  Opportunities
Deep Fake Detection, Deterrence and Response: Challenges and Opportunities
Amin Azmoodeh
Ali Dehghantanha
39
2
0
26 Nov 2022
ParticleGrid: Enabling Deep Learning using 3D Representation of
  Materials
ParticleGrid: Enabling Deep Learning using 3D Representation of Materials
Shehtab Zaman
E. Ferguson
Cécile Pereira
D. Akhiyarov
Mauricio Araya-Polo
Kenneth Chiu
DiffM
AI4CE
21
2
0
15 Nov 2022
Probabilistic Generative Transformer Language models for Generative
  Design of Molecules
Probabilistic Generative Transformer Language models for Generative Design of Molecules
Lai Wei
Nihang Fu
Yuqi Song
Qian Wang
Jianjun Hu
AI4CE
33
11
0
20 Sep 2022
Checklist Models for Improved Output Fluency in Piano Fingering
  Prediction
Checklist Models for Improved Output Fluency in Piano Fingering Prediction
Nikita Srivatsan
Taylor Berg-Kirkpatrick
16
2
0
12 Sep 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation
LIMO: Latent Inceptionism for Targeted Molecule Generation
Peter Eckmann
Kunyang Sun
Bo-Lu Zhao
Mudong Feng
Michael K. Gilson
Rose Yu
BDL
43
44
0
17 Jun 2022
Exploring Chemical Space with Score-based Out-of-distribution Generation
Exploring Chemical Space with Score-based Out-of-distribution Generation
Seul Lee
Jaehyeong Jo
Sung Ju Hwang
OODD
30
75
0
06 Jun 2022
An Unpooling Layer for Graph Generation
An Unpooling Layer for Graph Generation
Yi Guo
Dongmian Zou
Gilad Lerman
16
2
0
04 Jun 2022
Conditional $β$-VAE for De Novo Molecular Generation
Conditional βββ-VAE for De Novo Molecular Generation
Ryan J. Richards
A. Groener
BDL
DRL
24
10
0
01 May 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for
  Molecule Design
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design
Yuanqi Du
Tianfan Fu
Jimeng Sun
Shengchao Liu
AI4CE
31
86
0
28 Mar 2022
Interpretable Molecular Graph Generation via Monotonic Constraints
Interpretable Molecular Graph Generation via Monotonic Constraints
Yuanqi Du
Xiaojie Guo
Amarda Shehu
Liang Zhao
63
19
0
28 Feb 2022
MGCVAE: Multi-objective Inverse Design via Molecular Graph Conditional
  Variational Autoencoder
MGCVAE: Multi-objective Inverse Design via Molecular Graph Conditional Variational Autoencoder
Myeong-Sung Lee
K. Min
33
41
0
14 Feb 2022
Training Generative Adversarial Networks with Adaptive Composite
  Gradient
Training Generative Adversarial Networks with Adaptive Composite Gradient
Huiqing Qi
Fang Li
Shengli Tan
Xiangyun Zhang
GAN
21
3
0
10 Nov 2021
Unifying Likelihood-free Inference with Black-box Optimization and
  Beyond
Unifying Likelihood-free Inference with Black-box Optimization and Beyond
Dinghuai Zhang
Jie Fu
Yoshua Bengio
Aaron Courville
31
13
0
06 Oct 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques
Artificial Intelligence in Drug Discovery: Applications and Techniques
Jianyuan Deng
Zhibo Yang
Iwao Ojima
Dimitris Samaras
Fusheng Wang
AI4TS
21
100
0
09 Jun 2021
JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural
  Networks for Inverse Molecular Design
JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design
AkshatKumar Nigam
R. Pollice
Alán Aspuru-Guzik
29
51
0
07 Jun 2021
Generating Multi-type Temporal Sequences to Mitigate Class-imbalanced
  Problem
Generating Multi-type Temporal Sequences to Mitigate Class-imbalanced Problem
Lun Jiang
N. S. Sadghiani
Zhuo Tao
Andrew Cohen
19
0
0
07 Apr 2021
A Survey on Deep Reinforcement Learning for Audio-Based Applications
A Survey on Deep Reinforcement Learning for Audio-Based Applications
S. Latif
Heriberto Cuayáhuitl
Farrukh Pervez
Fahad Shamshad
Hafiz Shehbaz Ali
Erik Cambria
OffRL
44
73
0
01 Jan 2021
Symmetry-Aware Actor-Critic for 3D Molecular Design
Symmetry-Aware Actor-Critic for 3D Molecular Design
G. Simm
Robert Pinsler
Gábor Csányi
José Miguel Hernández-Lobato
AI4CE
29
64
0
25 Nov 2020
Optimizing Molecules using Efficient Queries from Property Evaluations
Optimizing Molecules using Efficient Queries from Property Evaluations
Samuel C. Hoffman
Vijil Chenthamarakshan
Kahini Wadhawan
Pin-Yu Chen
Payel Das
37
68
0
03 Nov 2020
Generating 3D Molecular Structures Conditional on a Receptor Binding
  Site with Deep Generative Models
Generating 3D Molecular Structures Conditional on a Receptor Binding Site with Deep Generative Models
Tomohide Masuda
Matthew Ragoza
D. Koes
DiffM
31
52
0
16 Oct 2020
Guiding Deep Molecular Optimization with Genetic Exploration
Guiding Deep Molecular Optimization with Genetic Exploration
Sungsoo Ahn
Junsup Kim
Hankook Lee
Jinwoo Shin
29
70
0
04 Jul 2020
A Survey on Generative Adversarial Networks: Variants, Applications, and
  Training
A Survey on Generative Adversarial Networks: Variants, Applications, and Training
Abdul Jabbar
Xi Li
Bourahla Omar
25
266
0
09 Jun 2020
XGNN: Towards Model-Level Explanations of Graph Neural Networks
XGNN: Towards Model-Level Explanations of Graph Neural Networks
Haonan Yuan
Jiliang Tang
Xia Hu
Shuiwang Ji
28
389
0
03 Jun 2020
Deep Learning and Knowledge-Based Methods for Computer Aided Molecular
  Design -- Toward a Unified Approach: State-of-the-Art and Future Directions
Deep Learning and Knowledge-Based Methods for Computer Aided Molecular Design -- Toward a Unified Approach: State-of-the-Art and Future Directions
Abdulelah S. Alshehri
R. Gani
Fengqi You
AI4CE
30
83
0
18 May 2020
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
G. Simm
Robert Pinsler
José Miguel Hernández-Lobato
AI4CE
18
82
0
18 Feb 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs
Hierarchical Generation of Molecular Graphs using Structural Motifs
Wengong Jin
Regina Barzilay
Tommi Jaakkola
21
279
0
08 Feb 2020
RL-Duet: Online Music Accompaniment Generation Using Deep Reinforcement
  Learning
RL-Duet: Online Music Accompaniment Generation Using Deep Reinforcement Learning
Nan Jiang
Sheng Jin
Z. Duan
Changshui Zhang
OffRL
45
49
0
08 Feb 2020
A Review on Generative Adversarial Networks: Algorithms, Theory, and
  Applications
A Review on Generative Adversarial Networks: Algorithms, Theory, and Applications
Jie Gui
Zhenan Sun
Yonggang Wen
Dacheng Tao
Jieping Ye
EGVM
26
817
0
20 Jan 2020
Molecular Generative Model Based On Adversarially Regularized
  Autoencoder
Molecular Generative Model Based On Adversarially Regularized Autoencoder
S. Hong
Jaechang Lim
Seongok Ryu
W. Kim
GAN
DRL
GNN
26
63
0
13 Nov 2019
Study of Deep Generative Models for Inorganic Chemical Compositions
Study of Deep Generative Models for Inorganic Chemical Compositions
Yoshihide Sawada
Koji Morikawa
Mikiya Fujii
GAN
14
13
0
25 Oct 2019
Machine Learning and Big Scientific Data
Machine Learning and Big Scientific Data
Tony (Anthony) John Grenville Hey
K. Butler
Sam Jackson
Jeyarajan Thiyagalingam
AI4CE
28
74
0
12 Oct 2019
Generating valid Euclidean distance matrices
Generating valid Euclidean distance matrices
Moritz Hoffmann
Frank Noé
19
56
0
07 Oct 2019
Augmenting Genetic Algorithms with Deep Neural Networks for Exploring
  the Chemical Space
Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space
AkshatKumar Nigam
Pascal Friederich
Mario Krenn
Alán Aspuru-Guzik
AI4CE
24
128
0
25 Sep 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery
  of molecules
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules
Niklas W. A. Gebauer
M. Gastegger
Kristof T. Schütt
26
201
0
02 Jun 2019
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular
  string representation
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation
Mario Krenn
Florian Hase
AkshatKumar Nigam
Pascal Friederich
Alán Aspuru-Guzik
11
70
0
31 May 2019
MolecularRNN: Generating realistic molecular graphs with optimized
  properties
MolecularRNN: Generating realistic molecular graphs with optimized properties
Mariya Popova
Mykhailo Shvets
Junier Oliva
Olexandr Isayev
GNN
35
164
0
31 May 2019
Learning to Sample Hard Instances for Graph Algorithms
Learning to Sample Hard Instances for Graph Algorithms
Ryoma Sato
M. Yamada
H. Kashima
16
1
0
26 Feb 2019
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