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ChemCrow: Augmenting large-language models with chemistry tools

ChemCrow: Augmenting large-language models with chemistry tools

11 April 2023
Andres M Bran
Sam Cox
Oliver Schilter
Carlo Baldassari
Andrew D. White
P. Schwaller
    LLMAG
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Papers citing "ChemCrow: Augmenting large-language models with chemistry tools"

45 / 45 papers shown
Title
Assessing the Chemical Intelligence of Large Language Models
Assessing the Chemical Intelligence of Large Language Models
Nicholas T. Runcie
Charlotte M. Deane
Fergus Imrie
ELM
LRM
23
0
0
12 May 2025
PyTDC: A multimodal machine learning training, evaluation, and inference platform for biomedical foundation models
PyTDC: A multimodal machine learning training, evaluation, and inference platform for biomedical foundation models
Alejandro Velez-Arce
Marinka Zitnik
19
0
0
08 May 2025
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
Yoel Zimmermann
Adib Bazgir
Alexander H Al-Feghali
Mehrad Ansari
L. C. Brinson
...
Shang Zhu
Jan Janssen
Calvin Li
Ian T. Foster
B. Blaiszik
45
0
0
05 May 2025
Evaluating Effects of Augmented SELFIES for Molecular Understanding Using QK-LSTM
Evaluating Effects of Augmented SELFIES for Molecular Understanding Using QK-LSTM
Collin Beaudoin
Swaroop Ghosh
31
0
0
29 Apr 2025
PhenoAssistant: A Conversational Multi-Agent AI System for Automated Plant Phenotyping
PhenoAssistant: A Conversational Multi-Agent AI System for Automated Plant Phenotyping
Feng Chen
Ilias Stogiannidis
Andrew Wood
Danilo Bueno
Dominic Williams
...
Stephen A. Rolfe
Tracy Lawson
Tony Pridmore
M. Giuffrida
Sotirios A. Tsaftaris
62
0
0
28 Apr 2025
GOLLuM: Gaussian Process Optimized LLMs -- Reframing LLM Finetuning through Bayesian Optimization
GOLLuM: Gaussian Process Optimized LLMs -- Reframing LLM Finetuning through Bayesian Optimization
Bojana Ranković
P. Schwaller
BDL
107
0
0
08 Apr 2025
Towards Scientific Intelligence: A Survey of LLM-based Scientific Agents
Towards Scientific Intelligence: A Survey of LLM-based Scientific Agents
Shuo Ren
Pu Jian
Zhenjiang Ren
Chunlin Leng
Can Xie
Jiajun Zhang
LLMAG
AI4CE
59
0
0
31 Mar 2025
BioMaze: Benchmarking and Enhancing Large Language Models for Biological Pathway Reasoning
BioMaze: Benchmarking and Enhancing Large Language Models for Biological Pathway Reasoning
Haiteng Zhao
Chang Ma
FangZhi Xu
Lingpeng Kong
Zhi-Hong Deng
LRM
44
2
0
23 Feb 2025
BioAgents: Democratizing Bioinformatics Analysis with Multi-Agent Systems
BioAgents: Democratizing Bioinformatics Analysis with Multi-Agent Systems
Nikita Mehandru
Amanda K. Hall
Olesya Melnichenko
Yulia Dubinina
Daniel Tsirulnikov
David Bamman
Ahmed Alaa
Scott Saponas
Venkat S. Malladi
36
3
0
10 Jan 2025
DrugAgent: Automating AI-aided Drug Discovery Programming through LLM Multi-Agent Collaboration
DrugAgent: Automating AI-aided Drug Discovery Programming through LLM Multi-Agent Collaboration
Sizhe Liu
Y. Lu
Siyu Chen
Xiyang Hu
Jieyu Zhao
Tianfan Fu
Yue Zhao
LLMAG
79
6
0
24 Nov 2024
Chemical Language Model Linker: blending text and molecules with modular adapters
Chemical Language Model Linker: blending text and molecules with modular adapters
Yifan Deng
Spencer S. Ericksen
Anthony Gitter
19
1
0
26 Oct 2024
From Exploration to Mastery: Enabling LLMs to Master Tools via Self-Driven Interactions
From Exploration to Mastery: Enabling LLMs to Master Tools via Self-Driven Interactions
Changle Qu
Sunhao Dai
Xiaochi Wei
Hengyi Cai
Shuaiqiang Wang
Dawei Yin
Jun Xu
Ji-Rong Wen
58
9
0
10 Oct 2024
Generative Hierarchical Materials Search
Generative Hierarchical Materials Search
Sherry Yang
Simon L. Batzner
Ruiqi Gao
Muratahan Aykol
Alexander L. Gaunt
Brendan McMorrow
Danilo J. Rezende
Dale Schuurmans
Igor Mordatch
E. D. Cubuk
AI4CE
32
5
0
10 Sep 2024
LLM-3D Print: Large Language Models To Monitor and Control 3D Printing
LLM-3D Print: Large Language Models To Monitor and Control 3D Printing
Yayati Jadhav
P. Pak
Amir Barati Farimani
AI4CE
81
8
0
26 Aug 2024
EventChat: Implementation and user-centric evaluation of a large
  language model-driven conversational recommender system for exploring leisure
  events in an SME context
EventChat: Implementation and user-centric evaluation of a large language model-driven conversational recommender system for exploring leisure events in an SME context
Hannes Kunstmann
J. Ollier
Joel Persson
F. Wangenheim
33
0
0
05 Jul 2024
Generative AI Systems: A Systems-based Perspective on Generative AI
Generative AI Systems: A Systems-based Perspective on Generative AI
Jakub M. Tomczak
43
1
0
25 Jun 2024
DISCOVERYWORLD: A Virtual Environment for Developing and Evaluating
  Automated Scientific Discovery Agents
DISCOVERYWORLD: A Virtual Environment for Developing and Evaluating Automated Scientific Discovery Agents
Peter Alexander Jansen
Marc-Alexandre Côté
Tushar Khot
Erin Bransom
Bhavana Dalvi Mishra
Bodhisattwa Prasad Majumder
Oyvind Tafjord
Peter Clark
LLMAG
35
21
0
10 Jun 2024
Tx-LLM: A Large Language Model for Therapeutics
Tx-LLM: A Large Language Model for Therapeutics
Juan Manuel Zambrano Chaves
Eric Wang
Tao Tu
E. D. Vaishnav
Byron Lee
S. S. Mahdavi
Christopher Semturs
David Fleet
Vivek Natarajan
Shekoofeh Azizi
LM&MA
22
12
0
10 Jun 2024
SysCaps: Language Interfaces for Simulation Surrogates of Complex Systems
SysCaps: Language Interfaces for Simulation Surrogates of Complex Systems
Patrick Emami
Zhaonan Li
Saumya Sinha
Truc Nguyen
48
1
0
30 May 2024
BioDiscoveryAgent: An AI Agent for Designing Genetic Perturbation Experiments
BioDiscoveryAgent: An AI Agent for Designing Genetic Perturbation Experiments
Yusuf Roohani
Jian Vora
Qian Huang
Zach Steinhart
Alex Marson
Percy Liang
J. Leskovec
Percy Liang
Jure Leskovec
LLMAG
LM&Ro
44
13
0
27 May 2024
AI2Apps: A Visual IDE for Building LLM-based AI Agent Applications
AI2Apps: A Visual IDE for Building LLM-based AI Agent Applications
Xin Pang
Zhucong Li
Jiaxiang Chen
Yuan-Chia Cheng
Yinghui Xu
Yuan Qi
LLMAG
31
4
0
07 Apr 2024
AIOS: LLM Agent Operating System
AIOS: LLM Agent Operating System
Kai Mei
Zelong Li
Wujiang Xu
Wenyue Hua
Mingyu Jin
Yongfeng Zhang
Shuyuan Xu
Ruosong Ye
Yingqiang Ge
Yongfeng Zhang
LLMAG
26
17
0
25 Mar 2024
Exploring the Potential of Large Language Models for Improving Digital Forensic Investigation Efficiency
Exploring the Potential of Large Language Models for Improving Digital Forensic Investigation Efficiency
Akila Wickramasekara
F. Breitinger
Mark Scanlon
42
7
0
29 Feb 2024
Prospect Personalized Recommendation on Large Language Model-based Agent
  Platform
Prospect Personalized Recommendation on Large Language Model-based Agent Platform
Jizhi Zhang
Keqin Bao
Wenjie Wang
Yang Zhang
Wentao Shi
Wanhong Xu
Fuli Feng
Tat-Seng Chua
LLMAG
39
16
0
28 Feb 2024
LAVE: LLM-Powered Agent Assistance and Language Augmentation for Video
  Editing
LAVE: LLM-Powered Agent Assistance and Language Augmentation for Video Editing
Bryan Wang
Yuliang Li
Zhaoyang Lv
Haijun Xia
Yan Xu
Raj Sodhi
16
39
0
15 Feb 2024
Fine-Tuned Language Models Generate Stable Inorganic Materials as Text
Fine-Tuned Language Models Generate Stable Inorganic Materials as Text
Nate Gruver
Anuroop Sriram
Andrea Madotto
A. Wilson
C. L. Zitnick
Zachary W. Ulissi
25
55
0
06 Feb 2024
Black-Box Access is Insufficient for Rigorous AI Audits
Black-Box Access is Insufficient for Rigorous AI Audits
Stephen Casper
Carson Ezell
Charlotte Siegmann
Noam Kolt
Taylor Lynn Curtis
...
Michael Gerovitch
David Bau
Max Tegmark
David M. Krueger
Dylan Hadfield-Menell
AAML
13
76
0
25 Jan 2024
Holistic chemical evaluation reveals pitfalls in reaction prediction
  models
Holistic chemical evaluation reveals pitfalls in reaction prediction models
Victor Sabanza Gil
Andres M Bran
Malte Franke
Remi Schlama
J. Luterbacher
Philippe Schwaller
ELM
21
1
0
14 Dec 2023
Structured Chemistry Reasoning with Large Language Models
Structured Chemistry Reasoning with Large Language Models
Siru Ouyang
Zhuosheng Zhang
Bing Yan
Xuan Liu
Yejin Choi
Jiawei Han
Lianhui Qin
LRM
14
14
0
16 Nov 2023
ExpeL: LLM Agents Are Experiential Learners
ExpeL: LLM Agents Are Experiential Learners
Andrew Zhao
Daniel Huang
Quentin Xu
Matthieu Lin
Y. Liu
Gao Huang
LLMAG
20
192
0
20 Aug 2023
ChatMOF: An Autonomous AI System for Predicting and Generating
  Metal-Organic Frameworks
ChatMOF: An Autonomous AI System for Predicting and Generating Metal-Organic Frameworks
Y. Kang
Jihan Kim
AI4CE
LLMAG
25
12
0
01 Aug 2023
Mini-Giants: "Small" Language Models and Open Source Win-Win
Mini-Giants: "Small" Language Models and Open Source Win-Win
Zhengping Zhou
Lezhi Li
Xinxi Chen
Andy Li
SyDa
ALM
MoE
24
6
0
17 Jul 2023
GeoGPT: Understanding and Processing Geospatial Tasks through An
  Autonomous GPT
GeoGPT: Understanding and Processing Geospatial Tasks through An Autonomous GPT
Yifan Zhang
Cheng Wei
Shangyou Wu
Zhengting He
Wenhao Yu
20
25
0
16 Jul 2023
Insert-expansions for Tool-enabled Conversational Agents
Insert-expansions for Tool-enabled Conversational Agents
Andreas Göldi
Roman Rietsche
KELM
24
1
0
04 Jul 2023
Emergent autonomous scientific research capabilities of large language
  models
Emergent autonomous scientific research capabilities of large language models
Daniil A. Boiko
R. MacKnight
Gabe Gomes
ELM
LM&Ro
AI4CE
LLMAG
101
117
0
11 Apr 2023
Sparks of Artificial General Intelligence: Early experiments with GPT-4
Sparks of Artificial General Intelligence: Early experiments with GPT-4
Sébastien Bubeck
Varun Chandrasekaran
Ronen Eldan
J. Gehrke
Eric Horvitz
...
Scott M. Lundberg
Harsha Nori
Hamid Palangi
Marco Tulio Ribeiro
Yi Zhang
ELM
AI4MH
AI4CE
ALM
236
2,232
0
22 Mar 2023
ReAct: Synergizing Reasoning and Acting in Language Models
ReAct: Synergizing Reasoning and Acting in Language Models
Shunyu Yao
Jeffrey Zhao
Dian Yu
Nan Du
Izhak Shafran
Karthik Narasimhan
Yuan Cao
LLMAG
ReLM
LRM
233
2,470
0
06 Oct 2022
Productivity Assessment of Neural Code Completion
Productivity Assessment of Neural Code Completion
Albert Ziegler
Eirini Kalliamvakou
Shawn Simister
Ganesh Sittampalam
Alice Li
Andrew Rice
Devon Rifkin
E. Aftandilian
102
177
0
13 May 2022
Training language models to follow instructions with human feedback
Training language models to follow instructions with human feedback
Long Ouyang
Jeff Wu
Xu Jiang
Diogo Almeida
Carroll L. Wainwright
...
Amanda Askell
Peter Welinder
Paul Christiano
Jan Leike
Ryan J. Lowe
OSLM
ALM
303
11,881
0
04 Mar 2022
Chain-of-Thought Prompting Elicits Reasoning in Large Language Models
Chain-of-Thought Prompting Elicits Reasoning in Large Language Models
Jason W. Wei
Xuezhi Wang
Dale Schuurmans
Maarten Bosma
Brian Ichter
F. Xia
Ed H. Chi
Quoc Le
Denny Zhou
LM&Ro
LRM
AI4CE
ReLM
315
8,402
0
28 Jan 2022
Text and Code Embeddings by Contrastive Pre-Training
Text and Code Embeddings by Contrastive Pre-Training
Arvind Neelakantan
Tao Xu
Raul Puri
Alec Radford
Jesse Michael Han
...
Tabarak Khan
Toki Sherbakov
Joanne Jang
Peter Welinder
Lilian Weng
SSL
AI4TS
213
420
0
24 Jan 2022
Keeping it Simple: Language Models can learn Complex Molecular
  Distributions
Keeping it Simple: Language Models can learn Complex Molecular Distributions
Daniel Flam-Shepherd
Kevin Zhu
A. Aspuru‐Guzik
122
142
0
06 Dec 2021
Trustworthy AI: From Principles to Practices
Trustworthy AI: From Principles to Practices
Bo-wen Li
Peng Qi
Bo Liu
Shuai Di
Jingen Liu
Jiquan Pei
Jinfeng Yi
Bowen Zhou
117
354
0
04 Oct 2021
Mapping the Space of Chemical Reactions Using Attention-Based Neural
  Networks
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks
P. Schwaller
Daniel Probst
Alain C. Vaucher
Vishnu H. Nair
D. Kreutter
Teodoro Laino
J. Reymond
139
224
0
09 Dec 2020
MoleculeNet: A Benchmark for Molecular Machine Learning
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
162
1,766
0
02 Mar 2017
1