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ProtAgents: Protein discovery via large language model multi-agent
  collaborations combining physics and machine learning

ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning

Digital Discovery (DD), 2024
27 January 2024
Alireza Ghafarollahi
Markus J. Buehler
    LLMAGAI4CE
ArXiv (abs)PDFHTML

Papers citing "ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning"

31 / 31 papers shown
Title
Autonomous Agents for Scientific Discovery: Orchestrating Scientists, Language, Code, and Physics
Autonomous Agents for Scientific Discovery: Orchestrating Scientists, Language, Code, and Physics
Lianhao Zhou
Hongyi Ling
Cong Fu
Yepeng Huang
Michael Sun
...
X. Qian
Heng Ji
Wei Wang
Marinka Zitnik
Shuiwang Ji
LLMAGLM&RoAI4CE
108
2
0
10 Oct 2025
JoyAgent-JDGenie: Technical Report on the GAIA
JoyAgent-JDGenie: Technical Report on the GAIA
J. Liu
Shiyue Xu
Shangkun Liu
Yang Li
Wen Liu
...
Hanhao Li
J. Zhang
Yongli Yu
Peng Cao
H. Wang
LLMAGLM&Ro
65
0
0
01 Oct 2025
From Trace to Line: LLM Agent for Real-World OSS Vulnerability Localization
From Trace to Line: LLM Agent for Real-World OSS Vulnerability Localization
Haoran Xi
Minghao Shao
Brendan Dolan-Gavitt
Muhammad Shafique
Ramesh Karri
LLMAG
115
0
0
30 Sep 2025
Towards Transparent and Incentive-Compatible Collaboration in Decentralized LLM Multi-Agent Systems: A Blockchain-Driven Approach
Towards Transparent and Incentive-Compatible Collaboration in Decentralized LLM Multi-Agent Systems: A Blockchain-Driven Approach
Minfeng Qi
Tianqing Zhu
Lefeng Zhang
Ningran Li
Wanlei Zhou
125
2
0
20 Sep 2025
From Language to Action: A Review of Large Language Models as Autonomous Agents and Tool Users
From Language to Action: A Review of Large Language Models as Autonomous Agents and Tool Users
Sadia Sultana Chowa
Riasad Alvi
Subhey Sadi Rahman
M. R
M. R
M. Islam
Mukhtar Hussain
Sami Azam
LLMAGLM&RoELM
195
5
0
24 Aug 2025
Generative Artificial Intelligence Extracts Structure-Function Relationships from Plants for New Materials
Generative Artificial Intelligence Extracts Structure-Function Relationships from Plants for New Materials
Rachel K. Luu
Jingyu Deng
Mohammed Shahrudin Ibrahim
Nam-Joon Cho
Ming Dao
Subra Suresh
Markus J. Buehler
AI4CE
60
0
0
08 Aug 2025
An Auditable Agent Platform For Automated Molecular Optimisation
An Auditable Agent Platform For Automated Molecular Optimisation
Atabey Ünlü
Phil Rohr
Ahmet Celebi
137
0
0
05 Aug 2025
Autonomous Inorganic Materials Discovery via Multi-Agent Physics-Aware Scientific Reasoning
Autonomous Inorganic Materials Discovery via Multi-Agent Physics-Aware Scientific Reasoning
Alireza Ghafarollahi
Markus J. Buehler
LRM
698
0
1
04 Aug 2025
SciToolAgent: A Knowledge Graph-Driven Scientific Agent for Multi-Tool Integration
SciToolAgent: A Knowledge Graph-Driven Scientific Agent for Multi-Tool IntegrationNature Computational Science (Nat. Comput. Sci.), 2025
Keyan Ding
Yuhao Wang
Junjie Huang
Yuchen Yang
Qiang Zhang
H. Chen
LLMAGLM&Ro
126
11
0
27 Jul 2025
Active Inference AI Systems for Scientific Discovery
Active Inference AI Systems for Scientific Discovery
Karthik Duraisamy
AI4CELRM
214
1
0
26 Jun 2025
AgentDistill: Training-Free Agent Distillation with Generalizable MCP Boxes
AgentDistill: Training-Free Agent Distillation with Generalizable MCP Boxes
Jiahao Qiu
Xinzhe Juan
Yimin Wang
L. Yang
Xuan Qi
...
Hongru Wang
Shilong Liu
Xun Jiang
Liu Leqi
Mengdi Wang
169
8
0
17 Jun 2025
The Curious Language Model: Strategic Test-Time Information Acquisition
Michael Cooper
Rohan Wadhawan
John Michael Giorgi
Chenhao Tan
Davis Liang
150
1
0
10 Jun 2025
Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists
Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists
Lianhao Zhou
Hongyi Ling
Keqiang Yan
Kaiji Zhao
X. Qian
Raymundo Arroyave
Xiaofeng Qian
Shuiwang Ji
LLMAGAI4CE
250
2
0
05 Jun 2025
Can Large Language Models Design Biological Weapons? Evaluating Moremi Bio
Can Large Language Models Design Biological Weapons? Evaluating Moremi Bio
Gertrude Hattoh
Jeremiah Ayensu
Nyarko Prince Ofori
Solomon Eshun
Darlington Akogo
94
0
0
22 May 2025
WorldView-Bench: A Benchmark for Evaluating Global Cultural Perspectives in Large Language Models
WorldView-Bench: A Benchmark for Evaluating Global Cultural Perspectives in Large Language Models
Abdullah Mushtaq
Imran Taj
Rafay Naeem
Ibrahim Ghaznavi
Junaid Qadir
161
2
0
14 May 2025
An LLM-enabled Multi-Agent Autonomous Mechatronics Design Framework
An LLM-enabled Multi-Agent Autonomous Mechatronics Design Framework
Zeyu Wang
Frank P.-W. Lo
Qian Chen
Yongqi Zhang
Chen Lin
Xu Chen
Zhenhua Yu
Alexander J. Thompson
Eric M. Yeatman
Benny Lo
AI4CE
158
2
0
20 Apr 2025
PriM: Principle-Inspired Material Discovery through Multi-Agent Collaboration
PriM: Principle-Inspired Material Discovery through Multi-Agent Collaboration
Zheyuan Lai
Yingming Pu
266
2
0
09 Apr 2025
AgentRxiv: Towards Collaborative Autonomous Research
AgentRxiv: Towards Collaborative Autonomous Research
Samuel Schmidgall
Michael Moor
323
22
0
23 Mar 2025
MedAgent-Pro: Towards Evidence-based Multi-modal Medical Diagnosis via Reasoning Agentic Workflow
MedAgent-Pro: Towards Evidence-based Multi-modal Medical Diagnosis via Reasoning Agentic Workflow
Ziyue Wang
Junde Wu
Linghan Cai
Chang Han Low
Xihong Yang
Qiaxuan Li
Yueming Jin
LRM
364
13
0
21 Mar 2025
Agentic AI for Scientific Discovery: A Survey of Progress, Challenges, and Future Directions
Mourad Gridach
Jay Nanavati
Khaldoun Zine El Abidine
Lenon Mendes
Christina Mack
287
46
0
12 Mar 2025
Towards an automated workflow in materials science for combining multi-modal simulative and experimental information using data mining and large language models
Towards an automated workflow in materials science for combining multi-modal simulative and experimental information using data mining and large language modelsMaterials Today Communications (MTC), 2025
Balduin Katzer
Steffen Klinder
Katrin Schulz
AI4CE
154
1
0
24 Feb 2025
RAG-Enhanced Collaborative LLM Agents for Drug Discovery
RAG-Enhanced Collaborative LLM Agents for Drug Discovery
Namkyeong Lee
Edward De Brouwer
Ehsan Hajiramezanali
Tommaso Biancalani
Chanyoung Park
Gabriele Scalia
375
11
0
22 Feb 2025
MDCrow: Automating Molecular Dynamics Workflows with Large Language Models
MDCrow: Automating Molecular Dynamics Workflows with Large Language Models
Quintina Campbell
Sam Cox
Jorge Medina
Brittany Watterson
A. White
LLMAGAI4CE
171
11
0
13 Feb 2025
Toward Inclusive Educational AI: Auditing Frontier LLMs through a Multiplexity Lens
Toward Inclusive Educational AI: Auditing Frontier LLMs through a Multiplexity Lens
Abdullah Mushtaq
Muhammad Rafay Naeem
Muhammad Imran Taj
Ibrahim Ghaznavi
Junaid Qadir
172
4
0
08 Jan 2025
Rapid and Automated Alloy Design with Graph Neural Network-Powered
  LLM-Driven Multi-Agent Systems
Rapid and Automated Alloy Design with Graph Neural Network-Powered LLM-Driven Multi-Agent Systems
Alireza Ghafarollahi
Markus J. Buehler
AI4CE
110
7
0
17 Oct 2024
Leveraging Chemistry Foundation Models to Facilitate Structure Focused
  Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and
  Materials Design
Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design
Nathaniel H. Park
Tiffany J. Callahan
James L. Hedrick
Tim Erdmann
Sara Capponi
AI4CE
184
2
0
21 Aug 2024
Cephalo: Multi-Modal Vision-Language Models for Bio-Inspired Materials
  Analysis and Design
Cephalo: Multi-Modal Vision-Language Models for Bio-Inspired Materials Analysis and Design
Markus J. Buehler
MLLM
267
23
0
29 May 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
273
22
0
03 Mar 2024
Evolutionary Computation in the Era of Large Language Model: Survey and
  Roadmap
Evolutionary Computation in the Era of Large Language Model: Survey and Roadmap
Xingyu Wu
Sheng-hao Wu
Jibin Wu
Liang Feng
Kay Chen Tan
ELM
393
116
0
18 Jan 2024
AutoGen: Enabling Next-Gen LLM Applications via Multi-Agent Conversation
AutoGen: Enabling Next-Gen LLM Applications via Multi-Agent Conversation
Qingyun Wu
Gagan Bansal
Jieyu Zhang
Yiran Wu
Beibin Li
...
Jiale Liu
Ahmed Hassan Awadallah
Ryen W. White
Doug Burger
Chi Wang
LLMAGAI4CE
283
829
0
16 Aug 2023
Building Cooperative Embodied Agents Modularly with Large Language Models
Building Cooperative Embodied Agents Modularly with Large Language ModelsInternational Conference on Learning Representations (ICLR), 2023
Hongxin Zhang
Weihua Du
Jiaming Shan
Qinhong Zhou
Yilun Du
J. Tenenbaum
Tianmin Shu
Chuang Gan
LLMAGLM&Ro
438
256
0
05 Jul 2023
1