abcd, Data Management for Machine Learning Interatomic Potentials (MLIP)
abcd, Data Management for Machine Learning Interatomic Potentials (MLIP), offers a suite of tools that allow users to programmatically import data from a repository and utilize it on their local infrastructure. This enables exploration of data in ways that would be too resource-intensive for a general service. Designed specifically for machine-learned interatomic potentials, abcd supports both OpenSearch and MongoDB as backend options, giving users flexibility in their setup. The tool is developed in collaboration with the University of Cambridge.
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This resource is part of the Data to Knowledge resource theme.
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Please cite: Gábor Csányi, abcd, Data Management for Machine Learning Interatomic Potentials (MLIP), https://resources.psdi.ac.uk/tool/f988614a-ab07-4fb6-b0ee-83f19024399d (accessed CURRENT_DATE).