Ichor: A Python library for computational chemistry data management and machine learning force field development
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DOI: 10.1002/jcc.27477
Abstract: We present ichor, an open‐source Python library that simplifies data management in computational chemistry and streamlines machine learning force field development. Ichor implements many easily extensible file management tools, in addition to a lazy file… read more here.
Keywords: chemistry; ichor; machine learning; computational chemistry ... See more keywords