scchem2021/bigQM7w
A high-quality dataset of ground-state properties and excited state spectra of 12880 molecules containing up to 7 atoms of CONF
DIGITAL Command LanguageMIT
No issues in this repository yet.
A high-quality dataset of ground-state properties and excited state spectra of 12880 molecules containing up to 7 atoms of CONF
DIGITAL Command LanguageMIT
No issues in this repository yet.