Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Use RoboCrystallographer with the Jarvis-DFT 3D dataset #435

Open
rookiexiong7 opened this issue Feb 28, 2024 · 0 comments
Open

Use RoboCrystallographer with the Jarvis-DFT 3D dataset #435

rookiexiong7 opened this issue Feb 28, 2024 · 0 comments

Comments

@rookiexiong7
Copy link

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')
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant