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DOE OSTI · 1873115

Replication Data for: Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events

Sun, Lixin·Vandermause, Jonathan·Batzner, Simon·Xie, Yu·Clark, David·Chen, Wei·Kozinsky, Boris
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Abstract

The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.

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Sun, Lixin, Vandermause, Jonathan, Batzner, Simon, Xie, Yu, Clark, David, Chen, Wei, Kozinsky, Boris. 2022-05-17. Replication Data for: Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events. https://doi.org/10.7910/dvn%2Fuek4yh

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