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Biological and Medicinal Chemistry

(1)

Theoretical and Computational Chemistry

(2)

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Working Paper

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delta-learning

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2 results in Keywords: delta-learning

Theoretical and Computational Chemistry

Δ-Quantum machine learning for medicinal chemistry

Kenneth Atz, Clemens Isert, Markus N. A. Böcker, José Jiménez-Luna, Gisbert Schneider

Version 2 posted 20 December 2021

2,489

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2

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Theoretical and Computational Chemistry

Active delta-learning for fast construction of interatomic potentials and stable molecular dynamics simulations

Yaohuang Huang, Yi-Fan Hou, Pavlo O. Dral

Version 1 posted 19 November 2024

8

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