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Atomistic learning in the electronically grand-canonical ensemble
Atomistic learning in the electronically grand-canonical ensemble.
Xi Chen, Muammar El Khatib, Per Lindgren, Adam Willard, Andrew J. Medford, Andrew A. Peterson
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Atomistic learning in the electronically grand-canonical ensemble
Open Chemistry, JupyterLab, REST, and quantum chemistry
Democratize chemistry.
Marcus D Hanwell, Chris Harris, Alessandro Genova, Mojtaba Haghighatlari, Muammar El Khatib, Patrick Avery, Johannes Hachmann, Wibe Albert Jong
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Open Chemistry, JupyterLab, REST, and quantum chemistry
ML4Chem : A Machine Learning Package for Chemistry and Materials Science
A machine learning package for chemistry and materials science.
Muammar El Khatib, Wibe De Jong
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ML4Chem : A Machine Learning Package for Chemistry and Materials Science