ML4Chem: Machine Learning for Chemistry and Materials v0.0.1

Software · Wed Oct 02 00:00:00 EDT 2019

DOI:https://doi.org/10.11578/dc.20191002.3· OSTI ID:1569016 · Code ID:28653

de Jong, Wibe ^[1]; El Khatib Rodriguez, Muammar ^[1]

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1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

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.

• Short Name / Acronym: ML4Chem v0.0.1
• Project Type: Open Source, Publicly Available Repository
• Site Accession Number: 2019-130
• Software Type: Scientific
• License(s): BSD 3-clause "New" or "Revised" License
• Research Organization: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE

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  Primary Award/Contract Number:

  AC02-05CH11231
• DOE Contract Number: AC02-05CH11231
• Code ID: 28653
• OSTI ID: 1569016
• Country of Origin: United States