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Graph Energy-based Model for Substructure Preserving Molecular Design

Graph Energy-based Model for Substructure Preserving Molecular Design

9 February 2021
Ryuichiro Hataya
Hideki Nakayama
Kazuki Yoshizoe
ArXiv (abs)PDFHTML

Papers citing "Graph Energy-based Model for Substructure Preserving Molecular Design"

4 / 4 papers shown
Gradient-Guided Importance Sampling for Learning Binary Energy-Based
  Models
Gradient-Guided Importance Sampling for Learning Binary Energy-Based ModelsInternational Conference on Learning Representations (ICLR), 2022
Meng Liu
Haoran Liu
Shuiwang Ji
219
6
0
11 Oct 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation
LIMO: Latent Inceptionism for Targeted Molecule GenerationInternational Conference on Machine Learning (ICML), 2022
Peter Eckmann
Kunyang Sun
Bo Zhao
Mudong Feng
Michael K. Gilson
Rose Yu
BDL
232
54
0
17 Jun 2022
Evaluating Self-Supervised Learning for Molecular Graph Embeddings
Evaluating Self-Supervised Learning for Molecular Graph EmbeddingsNeural Information Processing Systems (NeurIPS), 2022
Hanchen Wang
Jean Kaddour
Shengchao Liu
Jian Tang
Joan Lasenby
Qi Liu
279
34
0
16 Jun 2022
An In-depth Summary of Recent Artificial Intelligence Applications in
  Drug Design
An In-depth Summary of Recent Artificial Intelligence Applications in Drug Design
Yi Zhang
AI4CE
242
7
0
10 Oct 2021
1