/tools/dftio

dftio

deepmodeling/dftio

14 stars10 forksJupyter NotebookWebsiteAdded February 5, 2026
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.

Ratings

N/A
0 ratings

Rate this tool:

Comments (0)

Sign in to leave a comment.

No comments yet. Be the first to share your thoughts!