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Employment (1)

Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry: Prague, CZ

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Source: Self-asserted source
Martin Nováček

Works (3)

Working with benchmark datasets in the Cuby framework

The Journal of Chemical Physics
2024-05-28 | Journal article
DOI: 10.1063/5.0203372
Contributors: Jan Řezáč; Outi Vilhelmiina Kontkanen; Martin Nováček
Source: check_circle
Crossref

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

Journal of Chemical Theory and Computation
2021-03-09 | Journal article
DOI: 10.1021/acs.jctc.0c01341
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Kristian Kříž; Martin Nováček; Jan Řezáč
Source: Self-asserted source
Martin Nováček

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

Other
DOI: 10.26434/chemrxiv-2024-3nwwv-v2
Contributors: Martin Nováček; Jan Řezáč
Source: Self-asserted source
Martin Nováček via Crossref Metadata Search
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