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MolecularGPT: Open Large Language Model (LLM) for Few-Shot Molecular
  Property Prediction

MolecularGPT: Open Large Language Model (LLM) for Few-Shot Molecular Property Prediction

18 June 2024
Yuyan Liu
Sirui Ding
Sheng Zhou
Wenqi Fan
Qiaoyu Tan
ArXiv (abs)PDFHTMLGithub (31★)

Papers citing "MolecularGPT: Open Large Language Model (LLM) for Few-Shot Molecular Property Prediction"

16 / 16 papers shown
General Intelligence-based Fragmentation (GIF): A framework for peak-labeled spectra simulation
General Intelligence-based Fragmentation (GIF): A framework for peak-labeled spectra simulation
Margaret R. Martin
Soha Hassoun
132
0
0
11 Nov 2025
Reasoning-Enhanced Large Language Models for Molecular Property Prediction
Reasoning-Enhanced Large Language Models for Molecular Property Prediction
Jiaxi Zhuang
Yaorui Shi
Jue Hou
Yunong He
Mingwei Ye
...
Linfeng Zhang
Linfeng Zhang
Linfeng Zhang
Guolin Ke
Hengxing Cai
LRM
247
7
0
11 Oct 2025
Can LLMs Reason Over Non-Text Modalities in a Training-Free Manner? A Case Study with In-Context Representation Learning
Can LLMs Reason Over Non-Text Modalities in a Training-Free Manner? A Case Study with In-Context Representation Learning
Tianle Zhang
Wanlong Fang
Jonathan Woo
Paridhi Latawa
Deepak A.Subramanian
Alvin Chan
267
2
0
22 Sep 2025
ChemOrch: Empowering LLMs with Chemical Intelligence via Synthetic Instructions
ChemOrch: Empowering LLMs with Chemical Intelligence via Synthetic Instructions
Yue Huang
Zhengzhe Jiang
Xiaonan Luo
Kehan Guo
Haomin Zhuang
...
Shuhao Zhang
Mihir Surve
Nitesh Chawla
Olaf Wiest
Xiangliang Zhang
SyDaAI4CE
175
1
0
20 Sep 2025
Post Hoc Regression Refinement via Pairwise Rankings
Post Hoc Regression Refinement via Pairwise Rankings
Kevin Tirta Wijaya
Michael Sun
Minghao Guo
Hans-Peter Seidel
Wojciech Matusik
Vahid Babaei
187
0
0
22 Aug 2025
FGBench: A Dataset and Benchmark for Molecular Property Reasoning at Functional Group-Level in Large Language Models
FGBench: A Dataset and Benchmark for Molecular Property Reasoning at Functional Group-Level in Large Language Models
Xuan Liu
Siru Ouyang
Xianrui Zhong
Jiawei Han
Huimin Zhao
229
5
0
01 Aug 2025
Exploring Modularity of Agentic Systems for Drug Discovery
Exploring Modularity of Agentic Systems for Drug Discovery
Laura van Weesep
Samuel Genheden
Ola Engkvist
Jens Sjölund
LLMAG
195
2
0
27 Jun 2025
Training a Scientific Reasoning Model for Chemistry
Training a Scientific Reasoning Model for Chemistry
Siddharth Narayanan
James D. Braza
Ryan-Rhys Griffiths
Albert Bou
Geemi P Wellawatte
Mayk Caldas Ramos
Ludovico Mitchener
Samuel G. Rodriques
A. White
LRM
294
36
0
04 Jun 2025
Flex-Judge: Text-Only Reasoning Unleashes Zero-Shot Multimodal Evaluators
Flex-Judge: Text-Only Reasoning Unleashes Zero-Shot Multimodal Evaluators
Jongwoo Ko
S. Kim
Sungwoo Cho
Se-Young Yun
ELMLRM
649
0
0
24 May 2025
DrugPilot: LLM-based Parameterized Reasoning Agent for Drug Discovery
DrugPilot: LLM-based Parameterized Reasoning Agent for Drug Discovery
Kun Li
Zhennan Wu
Shoupeng Wang
Jia Wu
Shirui Pan
Wenbin Hu
LLMAGLM&MA
341
15
0
20 May 2025
ChemPile: A 250GB Diverse and Curated Dataset for Chemical Foundation Models
ChemPile: A 250GB Diverse and Curated Dataset for Chemical Foundation Models
Adrian Mirza
Nawaf Alampara
Martiño Ríos-García
Mohamed Abdelalim
Jack Butler
...
Mark Worrall
Adamo Young
Philippe Schwaller
Michael Pieler
Kevin Maik Jablonka
511
6
0
18 May 2025
PharmAgents: Building a Virtual Pharma with Large Language Model Agents
PharmAgents: Building a Virtual Pharma with Large Language Model Agents
B. Gao
Yanwen Huang
Yiqiao Liu
Wenxuan Xie
Wei-Ying Ma
Ya Zhang
Yanyan Lan
LLMAGLM&Ro
598
18
0
28 Mar 2025
EAIRA: Establishing a Methodology for Evaluating AI Models as Scientific Research Assistants
EAIRA: Establishing a Methodology for Evaluating AI Models as Scientific Research Assistants
Franck Cappello
Sandeep Madireddy
Robert Underwood
N. Getty
Nicholas Chia
...
M. Rafique
Eliu A. Huerta
Yangqiu Song
Ian Foster
Rick L. Stevens
397
3
0
27 Feb 2025
Generative Design of Functional Metal Complexes Utilizing the Internal
  Knowledge of Large Language Models
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
294
5
0
21 Oct 2024
G2T-LLM: Graph-to-Tree Text Encoding for Molecule Generation with
  Fine-Tuned Large Language Models
G2T-LLM: Graph-to-Tree Text Encoding for Molecule Generation with Fine-Tuned Large Language Models
Zhaoning Yu
Xiangyang Xu
Hongyang Gao
263
3
0
03 Oct 2024
Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey
Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey
Qizhi Pei
Lijun Wu
Ran Bi
Jinhua Zhu
Yue Wang
Guoqing Liu
Tao Qin
Lijun Wu
Rui Yan
AI4CE
545
25
0
03 Mar 2024
1
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