Crossmark

A dataset of 1.2 million molecules with DFT-level quantum chemical annotations for molecular representation learning

Published Online: 2026-05-26

Authors

Wang, Haoyu

Zhang, Ziyan

Gong, Haipeng https://orcid.org/0000-0002-5532-1640
Funding

Funding for this research was provided by:

National Natural Science Foundation of China (32171243)
License Information

Text and Data Mining valid from 2026-05-26

Accepted Manuscript valid from 2026-05-26
More Information

Article History

Received: 15 December 2025

Accepted: 15 May 2026

First Online: 26 May 2026

Competing interests

: The authors declare no competing interests.

Document is current