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ChemGraph: An Agentic Framework for Computational Chemistry Workflows

ChemGraph: An Agentic Framework for Computational Chemistry Workflows

3 June 2025

Aditya Tanikanti

ArXiv (abs)PDF HTML Github (82★)

Papers citing "ChemGraph: An Agentic Framework for Computational Chemistry Workflows"

4 / 4 papers shown

Empowering Real-World: A Survey on the Technology, Practice, and Evaluation of LLM-driven Industry Agents

Empowering Real-World: A Survey on the Technology, Practice, and Evaluation of LLM-driven Industry Agents

...

211

1

0

20 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

Brendan Dolan-Gavitt

Muhammad Shafique

410

1

0

30 Sep 2025

Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Dataset Generation for Training Machine-Learned Interatomic Potentials

Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Dataset Generation for Training Machine-Learned Interatomic Potentials

126

0

0

25 Sep 2025

K-Dense Analyst: Towards Fully Automated Scientific Analysis

K-Dense Analyst: Towards Fully Automated Scientific Analysis

Vinayak Agarwal

Ashwin Gopinath

191

4

0

09 Aug 2025

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