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ChemGraph as an agentic framework for computational chemistry workflows

Crossref DOI link: https://doi.org/10.1038/s42004-025-01776-9

Published Online: 2026-01-08

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Pham, Thang D. https://orcid.org/0000-0002-5232-4619
Tanikanti, Aditya https://orcid.org/0000-0002-5240-5064
Keçeli, Murat https://orcid.org/0000-0001-8588-9272
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Text and Data Mining valid from 2026-01-08

Version of Record valid from 2026-01-21
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Article History

Received: 30 June 2025

Accepted: 29 October 2025

First Online: 8 January 2026

Competing interests

: The authors declare no competing interests.