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Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules.
- Published in:
- Scientific Data, 2023, v. 10, n. 1, p. 1, doi. 10.1038/s41597-023-02408-4
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- Article
Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules.
- Published in:
- Scientific Data, 2023, v. 10, n. 1, p. 1, doi. 10.1038/s41597-023-02408-4
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- Publication type:
- Article
A codesign framework for online data analysis and reduction.
- Published in:
- Concurrency & Computation: Practice & Experience, 2022, v. 34, n. 14, p. 1, doi. 10.1002/cpe.6519
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- Article
Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules.
- Published in:
- Journal of Cheminformatics, 2022, v. 14, n. 1, p. 1, doi. 10.1186/s13321-022-00652-1
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- Publication type:
- Article
Multi-Threaded Parallel I/O for OpenMP Applications.
- Published in:
- International Journal of Parallel Programming, 2015, v. 43, n. 2, p. 286, doi. 10.1007/s10766-014-0306-9
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- Article