Published May 9, 2023
| Version 1
Software
Open
Lifelong Machine Learning Potentials
Description
This repository contains the lifelong Machine Learning Potential (lMLP) software presented in M. Eckhoff, M. Reiher, Lifelong Machine Learning Potentials, J. Chem. Theory Comput. 2023, 19, 3509–3525 (10.1021/acs.jctc.3c00279, arXiv:2303.05911). Moreover, the reference data sets, generated output of this work, and scripts for analysis and plotting are provided here.
Files
Files
(5.2 GB)
| Name | Size | Download all |
|---|---|---|
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md5:22133fa3f432a936b92bf5f6a29a7579
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7.5 MB | Download |
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md5:eeb8ea849e0ca7adbf81d5b95f25cc13
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5.2 GB | Download |
Additional details
Related works
- Is supplement to
- Preprint: arXiv:2303.05911 (arXiv)
- Journal article: 10.1021/acs.jctc.3c00279 (DOI)
References
- M. Eckhoff, M. Reiher, Lifelong Machine Learning Potentials, arXiv:2303.05911 [cs.LG] 2023.
- M. Eckhoff, M. Reiher, Lifelong Machine Learning Potentials, J. Chem. Theory Comput. 2023, 19, 3509–3525.