Communities
Connect sessions
AI calendar
Organizations
Join Slack
Contact Sales
Search
Open menu
Home
Papers
2203.08031
Cited By
Data-Efficient Graph Grammar Learning for Molecular Generation
International Conference on Learning Representations (ICLR), 2022
15 March 2022
Minghao Guo
Veronika Thost
Beichen Li
Payel Das
Jie Chen
Wojciech Matusik
Re-assign community
ArXiv (abs)
PDF
HTML
Github (95★)
Papers citing
"Data-Efficient Graph Grammar Learning for Molecular Generation"
23 / 23 papers shown
FRAGMENTA: End-to-end Fragmentation-based Generative Model with Agentic Tuning for Drug Lead Optimization
Yuto Suzuki
Paul Awolade
Daniel V. LaBarbera
Farnoush Banaei-Kashani
MedIm
VLM
332
0
0
25 Nov 2025
Symbolic Neural Generation with Applications to Lead Discovery in Drug Design
A. Srinivasan
A. Baskar
T. Dash
Michael Bain
Sanjay Kumar Dey
Mainak Banerjee
NAI
106
0
0
27 Oct 2025
Constrained Adaptive Rejection Sampling
Paweł Parys
Sairam Vaidya
Taylor Berg-Kirkpatrick
Loris Dántoni
88
1
0
02 Oct 2025
How to Make Large Language Models Generate 100% Valid Molecules?
Wen Tao
Jing Tang
Alvin Chan
Bryan Hooi
Baolong Bi
Nanyun Peng
Yuansheng Liu
Yiwei Wang
92
2
0
27 Sep 2025
Directed Graph Grammars for Sequence-based Learning
Michael Sun
Orion Foo
Gang Liu
Wojciech Matusik
Jie Chen
GNN
AI4CE
154
0
0
29 May 2025
Data-Efficient Molecular Generation with Hierarchical Textual Inversion
International Conference on Machine Learning (ICML), 2024
Seojin Kim
Jaehyun Nam
Sihyun Yu
Younghoon Shin
Jinwoo Shin
362
5
0
05 May 2024
A hypergraph model shows the carbon reduction potential of effective space use in housing
Nature Communications (Nat. Commun.), 2024
R. Weber
Caitlin Mueller
Christoph Reinhart
AI4CE
150
14
0
02 May 2024
Activity Grammars for Temporal Action Segmentation
Dayoung Gong
Joonseok Lee
Deunsol Jung
Suha Kwak
Minsu Cho
215
10
0
07 Dec 2023
A Simple and Scalable Representation for Graph Generation
International Conference on Learning Representations (ICLR), 2023
Yunhui Jang
Seul Lee
SungSoo Ahn
246
10
0
04 Dec 2023
Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design
International Conference on Learning Representations (ICLR), 2023
Jeff Guo
P. Schwaller
271
8
0
25 Sep 2023
DISeR: Designing Imaging Systems with Reinforcement Learning
IEEE International Conference on Computer Vision (ICCV), 2023
Tzofi Klinghoffer
Kushagra Tiwary
Nikhil Behari
Bhavya Agrawalla
Ramesh Raskar
3DV
168
7
0
25 Sep 2023
Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction
International Conference on Machine Learning (ICML), 2023
Minghao Guo
Veronika Thost
Samuel W Song
A. Balachandran
Payel Das
Jie Chen
Wojciech Matusik
AI4CE
229
0
0
04 Sep 2023
DiffDTM: A conditional structure-free framework for bioactive molecules generation targeted for dual proteins
Lei Huang
Zheng Yuan
Huihui Yan
Rong Sheng
Linjing Liu
...
Nanjun Chen
Fei Huang
Songfang Huang
Ka-Chun Wong
Yaoyun Zhang
122
1
0
24 Jun 2023
Grammar Prompting for Domain-Specific Language Generation with Large Language Models
Neural Information Processing Systems (NeurIPS), 2023
Bailin Wang
Zi Wang
Xuezhi Wang
Yuan Cao
Rif A. Saurous
Yoon Kim
ReLM
LRM
366
93
0
30 May 2023
Earning Extra Performance from Restrictive Feedbacks
IEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2023
Jing Li
Yuangang Pan
Yueming Lyu
Yinghua Yao
Yulei Sui
Ivor W. Tsang
158
3
0
28 Apr 2023
Dynamic Vertex Replacement Grammars
Daniel Gonzalez Cedre
Justus Hibshman
Timothy La Fond
Grant M. Boquet
Tim Weninger
185
0
0
21 Mar 2023
Deep Learning Methods for Small Molecule Drug Discovery: A Survey
IEEE Transactions on Artificial Intelligence (IEEE TAI), 2023
Wenhao Hu
Yingying Liu
Xuanyu Chen
Wenhao Chai
Hangyue Chen
Hongwei Wang
Gaoang Wang
292
17
0
01 Mar 2023
De Novo Molecular Generation via Connection-aware Motif Mining
International Conference on Learning Representations (ICLR), 2023
Zijie Geng
Shufang Xie
Ziheng Lu
Lijun Wu
Tao Qin
Jie Wang
Yongdong Zhang
Feng Wu
Tie-Yan Liu
286
46
0
02 Feb 2023
Random Copolymer inverse design system orienting on Accurate discovering of Antimicrobial peptide-mimetic copolymers
Tianyu Wu
Yang Tang
157
0
0
30 Nov 2022
Group SELFIES: A Robust Fragment-Based Molecular String Representation
Digital Discovery (DD), 2022
Austin H. Cheng
Andy Cai
Santiago Miret
Gustavo Malkomes
Mariano Phielipp
Alán Aspuru-Guzik
204
39
0
23 Nov 2022
Photonic Quantum Computing For Polymer Classification
A. Stoyanova
Taha Hammadia
Arno Ricou
Bogdan Penkovsky
188
1
0
22 Nov 2022
Neurosymbolic Programming for Science
Jennifer J. Sun
Megan Tjandrasuwita
Atharva Sehgal
Armando Solar-Lezama
Swarat Chaudhuri
Yisong Yue
Omar Costilla-Reyes
NAI
283
13
0
10 Oct 2022
Molecule Generation for Drug Design: a Graph Learning Perspective
Fundamental Research (FR), 2022
Nianzu Yang
Huaijin Wu
Xiaoyong Pan
Ye Yuan
Junchi Yan
340
30
0
18 Feb 2022
1
