Mapping the Molecules of Life: Expanding the Quantum-Mechanical Foundation for Biomolecular AI (IMAGE)

AI for Science

Mapping the Molecules of Life: Expanding the Quantum-Mechanical Foundation for Biomolecular AI

Caption

Overview of the QCell dataset: biomolecular coverage, data-generation workflow, and molecular species at the PBE0+MBD(–NL) level of theory.

Credit

Adil Kabylda, Sergio Suárez-Dou†, Nils Davoine, Florian N Brünig and Alexandre Tkatchenko from University of Luxembourg

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Credit must be given to the creator.

License

CC BY

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