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Use RoboCrystallographer with the Jarvis-DFT 3D dataset

Open rookiexiong7 opened this issue 11 months ago • 0 comments

Hello! I'd like to use RoboCrystallographer with the Jarvis-DFT 3D dataset. However, I only have a .json file. Could you please guide me on how to generate the textual description of the crystal? Thank you for your kind assistance!

Here's the code to obtain the JARVIS-DFT 3D dataset:

from jarvis.db.figshare import data
dft_3d = data(dataset='dft_3d')

rookiexiong7 avatar Feb 28 '24 14:02 rookiexiong7