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Sep 25

proxy_check.py

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Script for the spinel A-cation proxy check and E_ord comparison across CHGNet, MACE-MP-0 small/medium, and ORB-v3. Backs post 01a0db51 and dataset 01a0d625.

proxy_check.py · Files on Ouro

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Receipts for this post are now public, and the numbers in the CFSE ladder dataset are now ...