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2012.09712
Cited By
Deep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations
17 December 2020
Cynthia X Shen
Mario Krenn
S. Eppel
Alán Aspuru-Guzik
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Papers citing
"Deep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations"
9 / 9 papers shown
Title
Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?
Kangyu Zheng
Yingzhou Lu
Zaixi Zhang
Zhongwei Wan
Yao Ma
Marinka Zitnik
Tianfan Fu
ELM
36
6
0
04 Jun 2024
Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats
Wei Chen
Yihui Ren
Ai Kagawa
Matthew R. Carbone
Sam Yen-Chi Chen
...
Austin R. Clyde
Arvind Ramanathan
R. Stevens
Hubertus Van Dam
D. Lu
OOD
32
2
0
17 Jul 2023
Reinforced Genetic Algorithm for Structure-based Drug Design
Tianfan Fu
Wenhao Gao
Connor W. Coley
Jimeng Sun
30
51
0
28 Nov 2022
Quantum Deep Dreaming: A Novel Approach for Quantum Circuit Design
Romi Lifshitz
11
3
0
05 Nov 2022
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
On scientific understanding with artificial intelligence
Mario Krenn
R. Pollice
S. Guo
Matteo Aldeghi
Alba Cervera-Lierta
...
Florian Hase
A. Jinich
AkshatKumar Nigam
Zhenpeng Yao
Alán Aspuru-Guzik
30
186
0
04 Apr 2022
SELFIES and the future of molecular string representations
Mario Krenn
Qianxiang Ai
Senja Barthel
Nessa Carson
Angelo Frei
...
Andrew Wang
Andrew D. White
A. Young
Rose Yu
A. Aspuru‐Guzik
35
148
0
31 Mar 2022
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation
Jiaxuan You
Bowen Liu
Rex Ying
Vijay S. Pande
J. Leskovec
GNN
206
885
0
07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,340
0
12 Feb 2018
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