Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations – 2
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| Format: | Recurso digital |
| Langue: | anglais |
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Zenodo
2025
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| _version_ | 1866902315582095360 |
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| author | Eckhoff, Marco Reiher, Markus |
| author_facet | Eckhoff, Marco Reiher, Markus |
| contents | <p>This repository contains the lifelong Machine Learning Potential (lMLP) software (version 2.0.0) presented in M. Eckhoff and M. Reiher, Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations, arXiv:2504.11933 [physics.chem-ph] (2025) (<a href="https://doi.org/10.1021/acs.jctc.5c01127" target="_blank" rel="noopener">10.1021/acs.jctc.5c01127</a>, <a href="https://doi.org/10.48550/arXiv.2504.11933" target="_blank" rel="noopener">10.48550/arXiv.2504.11933</a>). Moreover, the chemical reaction networks, reference data sets, training and model settings, generated output of this work, and scripts for analysis and plotting are provided here.</p> <p>Please see also the Zenodo repository M. Eckhoff and M. Reiher, Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations – 1, Zenodo <a href="https://doi.org/10.5281/zenodo.14689929" target="_blank" rel="noopener">10.5281/zenodo.14689929</a> (2025).</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_17203915 |
| institution | Zenodo |
| language | eng |
| publishDate | 2025 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations – 2 Eckhoff, Marco Reiher, Markus Lifelong Machine Learning Potentials Chemical Reaction Network Continual Resilient (CoRe) Optimizer Lifelong Adaptive Data Selection <p>This repository contains the lifelong Machine Learning Potential (lMLP) software (version 2.0.0) presented in M. Eckhoff and M. Reiher, Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations, arXiv:2504.11933 [physics.chem-ph] (2025) (<a href="https://doi.org/10.1021/acs.jctc.5c01127" target="_blank" rel="noopener">10.1021/acs.jctc.5c01127</a>, <a href="https://doi.org/10.48550/arXiv.2504.11933" target="_blank" rel="noopener">10.48550/arXiv.2504.11933</a>). Moreover, the chemical reaction networks, reference data sets, training and model settings, generated output of this work, and scripts for analysis and plotting are provided here.</p> <p>Please see also the Zenodo repository M. Eckhoff and M. Reiher, Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations – 1, Zenodo <a href="https://doi.org/10.5281/zenodo.14689929" target="_blank" rel="noopener">10.5281/zenodo.14689929</a> (2025).</p> |
| title | Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations – 2 |
| topic | Lifelong Machine Learning Potentials Chemical Reaction Network Continual Resilient (CoRe) Optimizer Lifelong Adaptive Data Selection |
| url | https://doi.org/10.5281/zenodo.17203915 |