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MLatom 2: An Integrative Platform for Atomistic Machine Learning
Atomistic machine learning (AML) simulations are used in chemistry at an ever-increasing pace. A large number of AML models has been developed, but their implementations are scattered among different packages, each with its own conventions for input and output. Thus, here we give an overview of our...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8187220/ https://www.ncbi.nlm.nih.gov/pubmed/34101036 http://dx.doi.org/10.1007/s41061-021-00339-5 |