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I'm trying to use Bamboo for training a potential, but I'm not entirely sure about the correct way to convert my DFT data (e.g., from ORCA / Gaussian / other codes) into the .pt dataset format expected by Bamboo. Is there any existing tool or utility that I can adapt or reuse?
Thank you in advance for your help!
I'm trying to use Bamboo for training a potential, but I'm not entirely sure about the correct way to convert my DFT data (e.g., from ORCA / Gaussian / other codes) into the .pt dataset format expected by Bamboo. Is there any existing tool or utility that I can adapt or reuse?
Thank you in advance for your help!