follow up on shear/bulk modulus

YKQ98 / Matformer

Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)

MIT License

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follow up on shear/bulk modulus #11

Closed ychen739 closed 1 year ago

ychen739 commented 1 year ago

Also I would like to ask if you can provide a brief guideline on how can we revise the code/config to reproduce the numbers as in the paper and where should we put the dataset files in. Thanks a bunch!

YKQ98 commented 1 year ago

Thank you for your interest. The code itself can reproduce the results for most of the tasks shown in the paper. Just run it as shown in the readme.

ychen739 commented 1 year ago

thanks! I found somewhere I should set mp_id_list to run the other two datasets. will close this issue.