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Title: ML4Chem: Machine Learning for Chemistry and Materials v0.0.1

Abstract

ML4Chem is a free, and open-source machine learning package for chemistry and materials sciences written in Python. It allows scientists to focus on applying the most commonly used machine learning models in chemistry and materials sciences with minimum effort.

Developers:
 [1];  [1]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Release Date:
Project Type:
Open Source, Publicly Available Repository
Software Type:
Scientific
Licenses:
BSD 3-clause "New" or "Revised" License
Sponsoring Org.:
USDOE

Primary Award/Contract Number:
AC02-05CH11231
Code ID:
28653
Site Accession Number:
2019-130
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Country of Origin:
United States

Citation Formats

de Jong, Wibe, Rodriguez, Muammar El Khatib, and USDOE. ML4Chem: Machine Learning for Chemistry and Materials v0.0.1. Computer software. https://www.osti.gov//servlets/purl/1569016. USDOE. 2 Oct. 2019. Web. doi:10.11578/dc.20191002.3.
de Jong, Wibe, Rodriguez, Muammar El Khatib, & USDOE. (2019, October 2). ML4Chem: Machine Learning for Chemistry and Materials v0.0.1 [Computer software]. https://www.osti.gov//servlets/purl/1569016. doi:10.11578/dc.20191002.3.
de Jong, Wibe, Rodriguez, Muammar El Khatib, and USDOE. ML4Chem: Machine Learning for Chemistry and Materials v0.0.1. Computer software. October 2, 2019. https://www.osti.gov//servlets/purl/1569016. doi:10.11578/dc.20191002.3.
@misc{osti_1569016,
title = {ML4Chem: Machine Learning for Chemistry and Materials v0.0.1},
author = {de Jong, Wibe and Rodriguez, Muammar El Khatib and USDOE},
abstractNote = {ML4Chem is a free, and open-source machine learning package for chemistry and materials sciences written in Python. It allows scientists to focus on applying the most commonly used machine learning models in chemistry and materials sciences with minimum effort.},
url = {https://www.osti.gov//servlets/purl/1569016},
doi = {10.11578/dc.20191002.3},
year = {2019},
month = {10},
note =
}

Software:
Publicly Accessible Repository
https://github.com/muammar/ml4chem

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