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Martin Nováček

3 results in Authors: Martin Nováček

Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repulsive Contacts

Kristian Kříž, Martin Nováček, Jan Řezáč

Version 1 posted 21 December 2020

604

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Theoretical and Computational Chemistry

Working with benchmark datasets in the Cuby framework

Jan Řezáč, Outi Vilhelmiina Kontkanen, Martin Nováček

Version 1 posted 14 February 2024

233

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Theoretical and Computational Chemistry

PM6-ML: The Synergy of Semiempirical Quantum Chemistry and Machine Learning Transformed into a Practical Computational Method

Martin Nováček, Jan Řezáč

Version 3 posted 06 December 2024

929

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1

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