"Deep Learning Total Energies and Orbital Energies of Large Organic ..."

Obaidur Rahaman, Alessio Gagliardi (2020)

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DOI: 10.1021/ACS.JCIM.0C00687

access: closed

type: Journal Article

metadata version: 2021-09-01

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Obaidur Rahaman, Alessio Gagliardi:
Deep Learning Total Energies and Orbital Energies of Large Organic Molecules Using Hybridization of Molecular Fingerprints. J. Chem. Inf. Model. 60(12): 5971-5983 (2020)

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