Ján Michael Kormaník

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Machine-Learned Extrapolation of Quantum Mechanical Energies in Implicit Solvent from Short to Long Oligopeptides Click to copy article link Article link copied!

Apr 02, 2026 |

By Erik Andris, Tadeáš Kalvoda, Ján Michael Kormaník

| dx.doi.org

Introduction Click to copy section linkSection link copied! Machine-learning (ML) has recently become an integral part of computational and quantum chemistry.

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Ján Michael Kormaník

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Articles

Machine-Learned Extrapolation of Quantum Mechanical Energies in Implicit Solvent from Short to Long Oligopeptides Click to copy article link Article link copied!

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Is this you?

Get in touch with Ján Michael