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Energy information in test LMDBs for the IS2RE tasks #266

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szl666 opened this issue Sep 5, 2021 · 1 comment
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Energy information in test LMDBs for the IS2RE tasks #266

szl666 opened this issue Sep 5, 2021 · 1 comment

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@szl666
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szl666 commented Sep 5, 2021

Hello,

I downloaded the datasets for the IS2RE tasks from this link: https://dl.fbaipublicfiles.com/opencatalystproject/data/is2res_train_val_test_lmdbs.tar.gz

I can access the y_init, y_relaxed and pos_relaxed attributes in the data objects from train/val LMDBs. However, test LMDBs do not contain these attributes. Meanwhile, important adsorbates for CO2 reduction like *CO are contained in test LMDBs, the absorption energies of them will be helpful for further research. So, could I access these attributes in test LMDBs?

Thank you in advance!

@mshuaibii
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Hi - Unfortunately we're unable to release these annotations at this time since they are used in our public leaderboard, releasing these would cause issues in hosting a fair competition.

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