Published March 13, 2025 | Version v3
Dataset Open

Dataset for "Ligand Design for 227Ac Extraction by Active Learning and Molecular Topology"

Creators

  • 1. ROR icon University of Tennessee System

Description

Data and code for "Ligand Design for 227Ac Extraction by Active Learning and Molecular Topology" project.

 

Files

Laub25-BTBP.ipynb

Files (751.9 MB)

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md5:d263555e87bda18dddd1fa311d4c9876
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md5:bb8d1876d13276584546c4b14294e67d
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Additional details

Funding

U.S. National Science Foundation
CAREER: CAS-Climate: Data-driven Coupled-Cluster for Biomimetic CO2 Capture 2143354