Published December 22, 2020 | Version 1.0
Dataset Open

QM7b-T, GDB-13-T, TM-T, malonaldehyde, BBI, and short alkanes quantum chemistry dataset including MOB-ML features

Husch, Tamara1
Sun, Jiace1
Cheng, Lixue1
Lee, Sebastian J. R.1
Miller, Thomas F.1 ORCID icon
  • 1. ROR icon California Institute of Technology

Description

MOB-ML features, HF energies, correlation energies, and structures. Data are provided for QM7b-T, GDB-13-T, TM-T, malonaldehyde, BBI, and short alkanes.

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Additional details

Identifiers Related works Funding
Created:
September 12, 2022
Modified:
July 26, 2023