Papers
Communities
Events
Blog
Pricing
Search
Open menu
Home
Papers
2406.16976
Cited By
Efficient Evolutionary Search Over Chemical Space with Large Language Models
23 June 2024
Haorui Wang
Marta Skreta
C. Ser
Wenhao Gao
Lingkai Kong
Felix Strieth-Kalthoff
Chenru Duan
Yuchen Zhuang
Yue Yu
Yanqiao Zhu
Yuanqi Du
Alán Aspuru-Guzik
Kirill Neklyudov
Chao Zhang
Re-assign community
ArXiv
PDF
HTML
Papers citing
"Efficient Evolutionary Search Over Chemical Space with Large Language Models"
8 / 8 papers shown
Title
LLM-Augmented Chemical Synthesis and Design Decision Programs
Haorui Wang
Jeff Guo
Lingkai Kong
R. Ramprasad
Philippe Schwaller
Yuanqi Du
Chao Zhang
31
0
0
11 May 2025
MOLLM: Multi-Objective Large Language Model for Molecular Design -- Optimizing with Experts
Nian Ran
Yue Wang
Richard Allmendinger
64
0
0
18 Feb 2025
Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge of Large Language Models
Jieyu Lu
Zhangde Song
Qiyuan Zhao
Yuanqi Du
Yirui Cao
Haojun Jia
Chenru Duan
AI4CE
34
2
0
21 Oct 2024
A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery
Yu Zhang
Xiusi Chen
Bowen Jin
Sheng Wang
Shuiwang Ji
Wei Wang
Jiawei Han
44
27
0
16 Jun 2024
Navigating Chemical Space with Latent Flows
Guanghao Wei
Yining Huang
Chenru Duan
Yue Song
Yuanqi Du
BDL
AI4CE
36
1
0
07 May 2024
DrugAssist: A Large Language Model for Molecule Optimization
Geyan Ye
Xibao Cai
Houtim Lai
Xing Wang
Junhong Huang
Longyue Wang
Wei Liu
Xian Zeng
43
23
0
28 Dec 2023
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E. Graff
E. Shakhnovich
Connor W. Coley
76
142
0
13 Dec 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,337
0
12 Feb 2018
1