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Mini OCP#1

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reactiv wants to merge 3 commits intominifrom
mini_ocp
Open

Mini OCP#1
reactiv wants to merge 3 commits intominifrom
mini_ocp

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@reactiv
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@reactiv reactiv commented Sep 20, 2022

Added a preprocess step which converts from small OCP arrow file (712 examples like mini) into a CrystDataset, and an experiment ocp which will use it.

Data loading takes significantly longer, I assume because there's a much larger number of atoms per grid in this case

@reactiv reactiv requested a review from DeNeutoy September 20, 2022 20:28
@reactiv reactiv closed this Sep 20, 2022
@reactiv reactiv reopened this Sep 20, 2022
@reactiv reactiv changed the base branch from main to mini September 20, 2022 20:29
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