/tools/dftio
dftio
deepmodeling/dftio
summary
dftio is a tool designed to assist machine learning communities by transcribing and manipulating DFT output into a format suitable for machine learning models. It supports various DFT software and provides functionalities for parsing different molecular properties from the output data.
description
dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning models.
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