How to run ‘python scripts/optimisation.py’ correctly, I'm having problems

jiaor17 / DiffCSP

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

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How to run ‘python scripts/optimisation.py’ correctly, I'm having problems #24

Open yuuhaixia opened 2 months ago

yuuhaixia commented 2 months ago

Thank you very much for sharing. The following is my command to run, 'python scripts/optimumization. py -- model_cath/home/ps/yhx_project/DiffCSP/hydrogen/siglerun/2024-09-26/mptest_2energy -- uncond_path/home/ps/yhx_project/DiffCSP/hydrogen/siglerun/2024-09-26/mptest_2csp' ’What are the paths obtained from training the energy model and training the CSP task respectively?