The predicted crystal structure is preserved

jiaor17 / DiffCSP

[NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"

MIT License

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The predicted crystal structure is preserved #25

Open gaole1111 opened 1 month ago

gaole1111 commented 1 month ago

Hello author, I take the liberty to bother you, in terms of code, about the CSP task, is the predicted crystal structure saved in the eval_diff.pt file?